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

Systemtic Name: S-[2-[(2-methylphenyl)methyl]-3-[(4-methylsulfanyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[(1-hydroxy-4-methylsulfanyl-butyl)amino]-2-(o-tolylmethyl)-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[[1-hydroxy-4-(methylthio)butyl]amino]-2-[(2-methylphenyl)methyl]-3-oxopropyl] ester IUPAC Name: S-[3-[(1-hydroxy-4-methylsulfanylbutyl)amino]-2-[(2-methylphenyl)methyl]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[[1-hydroxy-4-(methylthio)butyl]amino]-3-keto-2-(2-methylbenzyl)propyl] ester Formula: C23H29NO3S2 MolecularWeight: 431.61126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C2=CC=CC=C2)C(=O)NC(CCCSC)O

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C2=CC=CC=C2)C(=O)NC(CCCSC)O

InChI

InChI=1S/C23H29NO3S2/c1-17-9-6-7-12-19(17)15-20(22(26)24-21(25)13-8-14-28-2)16-29-23(27)18-10-4-3-5-11-18/h3-7,9-12,20-21,25H,8,13-16H2,1-2H3,(H,24,26)