(E)-N-[[(2-iodobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Formula:C15H12N3O2IS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[(2-iodobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[(2-iodobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C15H12N3O2IS2
Smiles	O=C(/C=C/c1cccs1)NC(NNC(c(cccc1)c1I)=O)=S
InChI	InChI=1S/C15H12IN3O2S2/c16-12-6-2-1-5-11(12)14(21)18-19-15(22)17-13(20)8-7-10-4-3-9-23-10/h1-9H,(H,18,21)(H2,17,19,20,22)
InChIK	NTFXDBJYESNIIF-UHFFFAOYSA-N
TotalMolweight	457.311
Molweight	457.311
MonoisotopicMass	456.941565
CLogP	2.4329
CLogS	-5.251
H Acceptors	5
H Donors	3
TotalSurfaceArea	284.33
Relative PSA	0.38272
PolarSurfaceArea	130.56
Druglikeness	3.3386
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	1
StereoCon

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1 - (E)-N-[[(2-iodobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[[(2-iodobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

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