S-[(2S)-3-oxidanylidene-3-[(1-oxidanyl-4-propylsulfanyl-butyl)amino]-2-(phenylmethyl)propyl] benzenecarbothioate

Systemtic Name: S-[(2S)-3-oxidanylidene-3-[(1-oxidanyl-4-propylsulfanyl-butyl)amino]-2-(phenylmethyl)propyl] benzenecarbothioate Openeye Name: S-[(2S)-2-benzyl-3-[(1-hydroxy-4-propylsulfanyl-butyl)amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2S)-3-[[1-hydroxy-4-(propylthio)butyl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[(2S)-2-benzyl-3-[(1-hydroxy-4-propylsulfanylbutyl)amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2S)-2-benzyl-3-[[1-hydroxy-4-(propylthio)butyl]amino]-3-keto-propyl] ester Formula: C24H31NO3S2 MolecularWeight: 445.63784

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCC(NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCSCCCC(NC(=O)[C@H](CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C24H31NO3S2/c1-2-15-29-16-9-14-22(26)25-23(27)21(17-19-10-5-3-6-11-19)18-30-24(28)20-12-7-4-8-13-20/h3-8,10-13,21-22,26H,2,9,14-18H2,1H3,(H,25,27)/t21-,22?/m1/s1