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

Systemtic Name: 3,5-dinitro-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6S/c26-18(14-10-16(24(28)29)12-17(11-14)25(30)31)22-20(32)21-15-6-4-5-13(9-15)19(27)23-7-2-1-3-8-23/h4-6,9-12H,1-3,7-8H2,(H2,21,22,26,32)