S-[(2S)-3-[(5-methylsulfanyl-1-oxidanyl-pentyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate

Systemtic Name: S-[(2S)-3-[(5-methylsulfanyl-1-oxidanyl-pentyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate Openeye Name: S-[(2S)-2-benzyl-3-[(1-hydroxy-5-methylsulfanyl-pentyl)amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2S)-3-[[1-hydroxy-5-(methylthio)pentyl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[(2S)-2-benzyl-3-[(1-hydroxy-5-methylsulfanylpentyl)amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2S)-2-benzyl-3-[[1-hydroxy-5-(methylthio)pentyl]amino]-3-keto-propyl] ester Formula: C23H29NO3S2 MolecularWeight: 431.61126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3S2/c1-28-15-9-8-14-21(25)24-22(26)20(16-18-10-4-2-5-11-18)17-29-23(27)19-12-6-3-7-13-19/h2-7,10-13,20-21,25H,8-9,14-17H2,1H3,(H,24,26)/t20-,21?/m1/s1