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

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S/c1-13-6-8-24(9-7-13)20(28)14-2-4-16(5-3-14)22-21(33)23-19(27)15-10-17(25(29)30)12-18(11-15)26(31)32/h2-5,10-13H,6-9H2,1H3,(H2,22,23,27,33)