S-[(2R)-3-[[(2R)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate

Systemtic Name: S-[(2R)-3-[[(2R)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate Openeye Name: S-[(2R)-2-benzyl-3-[[(1R)-1-carbamoyl-3-methylsulfanyl-propyl]amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2R)-3-[[(2R)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[(2R)-3-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2R)-2-benzyl-3-[[(1R)-1-carbamoyl-3-(methylthio)propyl]amino]-3-keto-propyl] ester Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S2/c1-28-13-12-19(20(23)25)24-21(26)18(14-16-8-4-2-5-9-16)15-29-22(27)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H2,23,25)(H,24,26)/t18-,19+/m0/s1