4-(4-methylphenyl)sulfanyl-3-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide Openeye Name: 3-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]benzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-3-nitro-4-(p-tolylthio)benzamide Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O4S/c1-17-2-9-21(10-3-17)34-23-11-6-19(14-22(23)29(32)33)25(31)27-15-18-4-7-20(8-5-18)28-13-12-26-24(30)16-28/h2-11,14H,12-13,15-16H2,1H3,(H,26,30)(H,27,31)