S-[2-[(4-chlorophenyl)methyl]-3-[(4-methylsulfanyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[2-[(4-chlorophenyl)methyl]-3-[(4-methylsulfanyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[2-[(4-chlorophenyl)methyl]-3-[(1-hydroxy-4-methylsulfanyl-butyl)amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[(4-chlorophenyl)methyl]-3-[[1-hydroxy-4-(methylthio)butyl]amino]-3-oxopropyl] ester IUPAC Name: S-[2-[(4-chlorophenyl)methyl]-3-[(1-hydroxy-4-methylsulfanylbutyl)amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(4-chlorobenzyl)-3-[[1-hydroxy-4-(methylthio)butyl]amino]-3-keto-propyl] ester Formula: C22H26ClNO3S2 MolecularWeight: 452.02974

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC(NC(=O)C(CC1=CC=C(C=C1)Cl)CSC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CSCCCC(NC(=O)C(CC1=CC=C(C=C1)Cl)CSC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C22H26ClNO3S2/c1-28-13-5-8-20(25)24-21(26)18(14-16-9-11-19(23)12-10-16)15-29-22(27)17-6-3-2-4-7-17/h2-4,6-7,9-12,18,20,25H,5,8,13-15H2,1H3,(H,24,26)