N-[[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]methylcarbamothioyl]benzamide

Systemtic Name: N-[[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]methylcarbamothioyl]benzamide Openeye Name: N-[[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]methylcarbamothioyl]benzamide CAS Name: N-[[[5-(4-methyl-1-piperazinyl)-2-nitrophenyl]methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]methylcarbamothioyl]benzamide Traditional Name: N-[[5-(4-methylpiperazino)-2-nitro-benzyl]thiocarbamoyl]benzamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])CNC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])CNC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O3S/c1-23-9-11-24(12-10-23)17-7-8-18(25(27)28)16(13-17)14-21-20(29)22-19(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H2,21,22,26,29)