S-[3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-3-oxopropyl] ester IUPAC Name: S-[3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-3-keto-propyl] ester Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S2/c1-21-9-7-12(16)14(19)17-13(18)8-10-22-15(20)11-5-3-2-4-6-11/h2-6,12H,7-10,16H2,1H3,(H,17,18,19)/t12-/m0/s1