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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C(CCCSC)O)C(=O)CCSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1CN(C(CCCSC)O)C(=O)CCSC(=O)C2=CC=CC=C2

InChI

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