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

Systemtic Name: S-[3-[(4-methylsulfanyl-1-oxidanyl-butyl)-[(3-propan-2-ylphenyl)methyl]amino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[(1-hydroxy-4-methylsulfanyl-butyl)-[(3-isopropylphenyl)methyl]amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[[1-hydroxy-4-(methylthio)butyl]-[(3-propan-2-ylphenyl)methyl]amino]-3-oxopropyl] ester IUPAC Name: S-[3-[(1-hydroxy-4-methylsulfanylbutyl)-[(3-propan-2-ylphenyl)methyl]amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[[1-hydroxy-4-(methylthio)butyl]-(3-isopropylbenzyl)amino]-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)CN(C(CCCSC)O)C(=O)CCSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=CC(=C1)CN(C(CCCSC)O)C(=O)CCSC(=O)C2=CC=CC=C2

InChI

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