N-(3-methylphenyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]-N-(m-tolyl)acetamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-16-3-2-4-17(13-16)22-20(26)14-30-15-21(27)24-11-9-23(10-12-24)18-5-7-19(8-6-18)25(28)29/h2-8,13H,9-12,14-15H2,1H3,(H,22,26)