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

Systemtic Name: 4-methoxy-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[4-(4-methylpiperidino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-14-9-11-24(12-10-14)17-6-4-16(5-7-17)22-21(30)23-20(26)15-3-8-19(29-2)18(13-15)25(27)28/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,26,30)