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

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H21N5O7S2 MolecularWeight: 507.54004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(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

CC1CCN(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/C20H21N5O7S2/c1-13-6-8-23(9-7-13)34(31,32)18-4-2-15(3-5-18)21-20(33)22-19(26)14-10-16(24(27)28)12-17(11-14)25(29)30/h2-5,10-13H,6-9H2,1H3,(H2,21,22,26,33)