N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-14-9-11-24(12-10-14)20(27)15-5-4-6-16(13-15)22-21(30)23-19(26)17-7-2-3-8-18(17)25(28)29/h2-8,13-14H,9-12H2,1H3,(H2,22,23,26,30)