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

Systemtic Name: S-[2-[(4-methoxyphenyl)methyl]-3-[(4-methylsulfanyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[(1-hydroxy-4-methylsulfanyl-butyl)amino]-2-[(4-methoxyphenyl)methyl]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[[1-hydroxy-4-(methylthio)butyl]amino]-2-[(4-methoxyphenyl)methyl]-3-oxopropyl] ester IUPAC Name: S-[3-[(1-hydroxy-4-methylsulfanylbutyl)amino]-2-[(4-methoxyphenyl)methyl]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[[1-hydroxy-4-(methylthio)butyl]amino]-3-keto-2-p-anisyl-propyl] ester Formula: C23H29NO4S2 MolecularWeight: 447.61066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC(CCCSC)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC(CCCSC)O

InChI

InChI=1S/C23H29NO4S2/c1-28-20-12-10-17(11-13-20)15-19(22(26)24-21(25)9-6-14-29-2)16-30-23(27)18-7-4-3-5-8-18/h3-5,7-8,10-13,19,21,25H,6,9,14-16H2,1-2H3,(H,24,26)