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

Systemtic Name: 4-methyl-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[[4-(2-methyl-1-piperidyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[4-(2-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[[4-(2-methylpiperidino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-14-6-7-16(13-19(14)25(27)28)20(26)23-21(29)22-17-8-10-18(11-9-17)24-12-4-3-5-15(24)2/h6-11,13,15H,3-5,12H2,1-2H3,(H2,22,23,26,29)