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

Systemtic Name: S-[(2S)-3-[(3-methylsulfanyl-1-oxidanyl-propyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate Openeye Name: S-[(2S)-2-benzyl-3-[(1-hydroxy-3-methylsulfanyl-propyl)amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2S)-3-[[1-hydroxy-3-(methylthio)propyl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[(2S)-2-benzyl-3-[(1-hydroxy-3-methylsulfanylpropyl)amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2S)-2-benzyl-3-[[1-hydroxy-3-(methylthio)propyl]amino]-3-keto-propyl] ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S2/c1-26-13-12-19(23)22-20(24)18(14-16-8-4-2-5-9-16)15-27-21(25)17-10-6-3-7-11-17/h2-11,18-19,23H,12-15H2,1H3,(H,22,24)/t18-,19?/m1/s1