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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-14-10-12-24(13-11-14)17-8-6-16(7-9-17)22-21(29)23-20(26)18-4-3-5-19(15(18)2)25(27)28/h3-9,14H,10-13H2,1-2H3,(H2,22,23,26,29)