3,5-dinitro-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C19H19N5O7S2 MolecularWeight: 493.51346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(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

C1CCN(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/C19H19N5O7S2/c25-18(13-10-15(23(26)27)12-16(11-13)24(28)29)21-19(32)20-14-4-6-17(7-5-14)33(30,31)22-8-2-1-3-9-22/h4-7,10-12H,1-3,8-9H2,(H2,20,21,25,32)