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

Systemtic Name: S-[3-[(4-methylsulfanyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-2-[(3-propan-2-ylphenyl)methyl]propyl] benzenecarbothioate Openeye Name: S-[3-[(1-hydroxy-4-methylsulfanyl-butyl)amino]-2-[(3-isopropylphenyl)methyl]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[[1-hydroxy-4-(methylthio)butyl]amino]-3-oxo-2-[(3-propan-2-ylphenyl)methyl]propyl] ester IUPAC Name: S-[3-[(1-hydroxy-4-methylsulfanylbutyl)amino]-3-oxo-2-[(3-propan-2-ylphenyl)methyl]propyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[[1-hydroxy-4-(methylthio)butyl]amino]-2-(3-isopropylbenzyl)-3-keto-propyl] ester Formula: C25H33NO3S2 MolecularWeight: 459.66442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3S2/c1-18(2)21-12-7-9-19(15-21)16-22(24(28)26-23(27)13-8-14-30-3)17-31-25(29)20-10-5-4-6-11-20/h4-7,9-12,15,18,22-23,27H,8,13-14,16-17H2,1-3H3,(H,26,28)