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

Systemtic Name: S-[3-[(3-chlorophenyl)methyl-(4-methylsulfanyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[(3-chlorophenyl)methyl-(1-hydroxy-4-methylsulfanyl-butyl)amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[(3-chlorophenyl)methyl-[1-hydroxy-4-(methylthio)butyl]amino]-3-oxopropyl] ester IUPAC Name: S-[3-[(3-chlorophenyl)methyl-(1-hydroxy-4-methylsulfanylbutyl)amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[(3-chlorobenzyl)-[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(N(CC1=CC(=CC=C1)Cl)C(=O)CCSC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CSCCCC(N(CC1=CC(=CC=C1)Cl)C(=O)CCSC(=O)C2=CC=CC=C2)O

InChI

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