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

Systemtic Name: 2-[1-[2-[2-(4-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylbutylcarbamoyl]oxirane-2-carboxylate Openeye Name: 2-[1-[2-[2-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylbutylcarbamoyl]oxirane-2-carboxylate CAS Name: 2-[[1-[[2-[2-(4-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]butylamino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: 2-[1-[2-[2-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylbutylcarbamoyl]oxirane-2-carboxylate Traditional Name: 2-[1-[[2-[2-(4-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)C1(CO1)C(=O)[O-])SCC(=O)N2CCNCC2C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(NC(=O)C1(CO1)C(=O)[O-])SCC(=O)N2CCNCC2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN3O5S/c1-2-3-16(23-18(26)20(12-29-20)19(27)28)30-11-17(25)24-9-8-22-10-15(24)13-4-6-14(21)7-5-13/h4-7,15-16,22H,2-3,8-12H2,1H3,(H,23,26)(H,27,28)/p-1