N-(4-methylphenyl)-3-nitro-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-benzamide

Systemtic Name: N-(4-methylphenyl)-3-nitro-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-N-(p-tolyl)benzamide CAS Name: N-(4-methylphenyl)-3-nitro-4-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]benzamide IUPAC Name: N-(4-methylphenyl)-3-nitro-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-3-nitro-N-(p-tolyl)benzamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O4S/c1-19-7-10-21(11-8-19)27-26(32)20-9-12-24(23(17-20)30(33)34)35-18-25(31)29-15-13-28(14-16-29)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,27,32)