2-(4-methylpiperidin-1-yl)-5-nitro-N-[(2-phenylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N-[(2-phenylphenyl)carbamothioyl]benzamide Openeye Name: 2-(4-methyl-1-piperidyl)-5-nitro-N-[(2-phenylphenyl)carbamothioyl]benzamide CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitro-N-[(2-phenylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N-[(2-phenylphenyl)carbamothioyl]benzamide Traditional Name: 2-(4-methylpiperidino)-5-nitro-N-[(2-phenylphenyl)thiocarbamoyl]benzamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3S/c1-18-13-15-29(16-14-18)24-12-11-20(30(32)33)17-22(24)25(31)28-26(34)27-23-10-6-5-9-21(23)19-7-3-2-4-8-19/h2-12,17-18H,13-16H2,1H3,(H2,27,28,31,34)