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[(E)-[[4-[(E)-N-(carbamothioylamino)-C-(2,4-dichlorophenyl)carbonimidoyl]piperazin-1-yl]-(2,4-dichlorophenyl)methylidene]amino]thiourea

Formula:C20H20N8Cl4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low [(E)-[[4-[(E)-N-(carbamothioylamino)-C-(2,4-dichlorophenyl)carbonimidoyl]piperazin-1-yl]-(2,4-dichlorophenyl)methylidene]amino]thiourea is not a drug-like molecule.
MolName[(E)-[[4-[(E)-N-(carbamothioylamino)-C-(2,4-dichlorophenyl)carbonimidoyl]piperazin-1-yl]-(2,4-dichlorophenyl)methylidene]amino]thiourea
MolecularFormulaC20H20N8Cl4S2
SmilesNC(N/N=C(\c(ccc(Cl)c1)c1Cl)/N(CC1)CCN1/C(/c(ccc(Cl)c1)c1Cl)=N/NC(N)=S)=S
InChIInChI=1S/C20H20Cl4N8S2/c21-11-1-3-13(15(23)9-11)17(27-29-19(25)33)31-5-7-32(8-6-31)18(28-30-20(26)34)14-4-2-12(22)10-16(14)24/h1-4,9-10H,5-8H2,(H3,25,29,33)(H3,26,30,34)
InChIKSBVLSMPICPAHEZ-UHFFFAOYSA-N
TotalMolweight578.379
Molweight578.379
MonoisotopicMass576.00064
CLogP5.246
CLogS-7.14
H Acceptors8
H Donors4
TotalSurfaceArea408.16
Relative PSA0.34197
PolarSurfaceArea171.48
Druglikeness5.904
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.47059
Fragments1
Non HAtoms34
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms18
StereoCon

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