S-[1-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-1-oxidanylidene-propan-2-yl] benzenecarbothioate

Systemtic Name: S-[1-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-1-oxidanylidene-propan-2-yl] benzenecarbothioate Openeye Name: S-[2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-1-methyl-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: S-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-1-oxopropan-2-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)C(CCSC)N)SC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC(=O)[C@H](CCSC)N)SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H20N2O3S2/c1-10(22-15(20)11-6-4-3-5-7-11)13(18)17-14(19)12(16)8-9-21-2/h3-7,10,12H,8-9,16H2,1-2H3,(H,17,18,19)/t10?,12-/m0/s1