S-[(2S)-3-[(6-methylsulfanyl-1-oxidanyl-hexyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate

Systemtic Name: S-[(2S)-3-[(6-methylsulfanyl-1-oxidanyl-hexyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate Openeye Name: S-[(2S)-2-benzyl-3-[(1-hydroxy-6-methylsulfanyl-hexyl)amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2S)-3-[[1-hydroxy-6-(methylthio)hexyl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[(2S)-2-benzyl-3-[(1-hydroxy-6-methylsulfanylhexyl)amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2S)-2-benzyl-3-[[1-hydroxy-6-(methylthio)hexyl]amino]-3-keto-propyl] ester Formula: C24H31NO3S2 MolecularWeight: 445.63784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3S2/c1-29-16-10-4-9-15-22(26)25-23(27)21(17-19-11-5-2-6-12-19)18-30-24(28)20-13-7-3-8-14-20/h2-3,5-8,11-14,21-22,26H,4,9-10,15-18H2,1H3,(H,25,27)/t21-,22?/m1/s1