N-(4-methoxyphenyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(4-methoxyphenyl)-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-30-19-8-2-16(3-9-19)22-20(26)14-31-15-21(27)24-12-10-23(11-13-24)17-4-6-18(7-5-17)25(28)29/h2-9H,10-15H2,1H3,(H,22,26)