2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C17H17N3O2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C17H17N3O2S3
Smiles	NC(c1c(NC(NC(/C=C/c2cccs2)=O)=S)sc2c1CCCC2)=O
InChI	InChI=1S/C17H17N3O2S3/c18-15(22)14-11-5-1-2-6-12(11)25-16(14)20-17(23)19-13(21)8-7-10-4-3-9-24-10/h3-4,7-9H,1-2,5-6H2,(H2,18,22)(H2,19,20,21,23)
InChIK	CKSIOHDDAJOIRT-UHFFFAOYSA-N
TotalMolweight	391.539
Molweight	391.539
MonoisotopicMass	391.048287
CLogP	3.4856
CLogS	-5.394
H Acceptors	5
H Donors	3
TotalSurfaceArea	292.59
Relative PSA	0.45453
PolarSurfaceArea	172.79
Druglikeness	-1.6395
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	5
Amides	2
StereoCon

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1 - 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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