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

Systemtic Name: 3-[1-[1-acetamido-2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethylcarbamoyl]oxirane-2-carboxylate Openeye Name: 3-[1-[1-acetamido-2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylethylcarbamoyl]oxirane-2-carboxylate CAS Name: 3-[[1-[[1-acetamido-2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]ethylamino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: 3-[1-[1-acetamido-2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylethylcarbamoyl]oxirane-2-carboxylate Traditional Name: 3-[1-[[1-acetamido-2-[4-(2-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)N2CCN(CC2)C3=CC=CC=C3Cl)NC(=O)C

Isomeric SMILES

CC(NC(=O)C1C(O1)C(=O)[O-])SC(C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)NC(=O)C

InChI

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