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

Systemtic Name: 3-[1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylbutylcarbamoyl]oxirane-2-carboxylate Openeye Name: 3-[1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylbutylcarbamoyl]oxirane-2-carboxylate CAS Name: 3-[[1-[[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]butylamino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: 3-[1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylbutylcarbamoyl]oxirane-2-carboxylate Traditional Name: 3-[1-[[2-[4-(2-chlorophenyl)piperazino]-2-keto-ethyl]thio]butylcarbamoyl]oxirane-2-carboxylate Formula: C20H25ClN3O5S- MolecularWeight: 454.9476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O5S/c1-2-5-15(22-19(26)17-18(29-17)20(27)28)30-12-16(25)24-10-8-23(9-11-24)14-7-4-3-6-13(14)21/h3-4,6-7,15,17-18H,2,5,8-12H2,1H3,(H,22,26)(H,27,28)/p-1