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

Systemtic Name: 2-methyl-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[[4-(2-methyl-1-piperidyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[4-(2-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 2-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=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-14-6-3-4-13-24(14)17-11-9-16(10-12-17)22-21(29)23-20(26)18-7-5-8-19(15(18)2)25(27)28/h5,7-12,14H,3-4,6,13H2,1-2H3,(H2,22,23,26,29)