N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H20N6O6S MolecularWeight: 472.4744

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O6S/c1-23-6-8-24(9-7-23)19(28)16-4-2-3-5-17(16)21-20(33)22-18(27)13-10-14(25(29)30)12-15(11-13)26(31)32/h2-5,10-12H,6-9H2,1H3,(H2,21,22,27,33)