methyl 4-[(5-chloranyl-2-phenylsulfanyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(5-chloranyl-2-phenylsulfanyl-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(5-chloro-2-phenylsulfanyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[[5-chloro-2-(phenylthio)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-2-phenylsulfanylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[[5-chloro-2-(phenylthio)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C18H19ClN2O2S2 MolecularWeight: 394.93866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2

InChI

InChI=1S/C18H19ClN2O2S2/c1-23-17(22)8-5-11-20-18(24)21-15-12-13(19)9-10-16(15)25-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,20,21,24)