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

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H20N6O7S2 MolecularWeight: 508.5281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O7S2/c1-22-6-8-23(9-7-22)34(31,32)17-4-2-14(3-5-17)20-19(33)21-18(26)13-10-15(24(27)28)12-16(11-13)25(29)30/h2-5,10-12H,6-9H2,1H3,(H2,20,21,26,33)