S-[3-(2-ethanoylsulfanylethylamino)-2-(2-methylpropanoylamino)-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[3-(2-ethanoylsulfanylethylamino)-2-(2-methylpropanoylamino)-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-(2-acetylsulfanylethylamino)-2-(2-methylpropanoylamino)-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[2-(acetylthio)ethylamino]-2-[(2-methyl-1-oxopropyl)amino]-3-oxopropyl] ester IUPAC Name: S-[3-(2-acetylsulfanylethylamino)-2-(2-methylpropanoylamino)-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[2-(acetylthio)ethylamino]-2-(isobutyrylamino)-3-keto-propyl] ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S2/c1-12(2)16(22)20-15(17(23)19-9-10-25-13(3)21)11-26-18(24)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3,(H,19,23)(H,20,22)