methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]butanoate CAS Name: 4-[[[2-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-[(4-chlorophenyl)thio]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=CC=CC=C1SC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl

InChI

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