S-[2-acetamido-3-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[2-acetamido-3-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[2-acetamido-3-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-acetamido-3-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethylamino]-3-oxopropyl] ester IUPAC Name: S-[2-acetamido-3-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-acetamido-3-keto-3-[2-(pivaloylthio)ethylamino]propyl] ester Formula: C19H26N2O4S2 MolecularWeight: 410.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)NCCSC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)NCCSC(=O)C(C)(C)C

InChI

InChI=1S/C19H26N2O4S2/c1-13(22)21-15(12-27-17(24)14-8-6-5-7-9-14)16(23)20-10-11-26-18(25)19(2,3)4/h5-9,15H,10-12H2,1-4H3,(H,20,23)(H,21,22)