3-[1-[1-acetamido-2-[2-(4-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethylcarbamoyl]oxirane-2-carboxylate

Systemtic Name: 3-[1-[1-acetamido-2-[2-(4-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethylcarbamoyl]oxirane-2-carboxylate Openeye Name: 3-[1-[1-acetamido-2-[2-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylethylcarbamoyl]oxirane-2-carboxylate CAS Name: 3-[[1-[[1-acetamido-2-[2-(4-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]ethylamino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: 3-[1-[1-acetamido-2-[2-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylethylcarbamoyl]oxirane-2-carboxylate Traditional Name: 3-[1-[[1-acetamido-2-[2-(4-chlorophenyl)piperazino]-2-keto-ethyl]thio]ethylcarbamoyl]oxirane-2-carboxylate Formula: C20H24ClN4O6S- MolecularWeight: 483.94576

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C1C(O1)C(=O)[O-])SC(C(=O)N2CCNCC2C3=CC=C(C=C3)Cl)NC(=O)C

Isomeric SMILES

CC(NC(=O)C1C(O1)C(=O)[O-])SC(C(=O)N2CCNCC2C3=CC=C(C=C3)Cl)NC(=O)C

InChI

InChI=1S/C20H25ClN4O6S/c1-10(26)23-18(32-11(2)24-17(27)15-16(31-15)20(29)30)19(28)25-8-7-22-9-14(25)12-3-5-13(21)6-4-12/h3-6,11,14-16,18,22H,7-9H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)/p-1