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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CO)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC(CO)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2

InChI

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