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

Systemtic Name: 4-methoxy-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[4-[(2R)-2-methyl-1-piperidyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[4-[(2R)-2-methyl-1-piperidinyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[4-[(2R)-2-methylpiperidino]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CCCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-14-5-3-4-12-24(14)17-9-7-16(8-10-17)22-21(30)23-20(26)15-6-11-19(29-2)18(13-15)25(27)28/h6-11,13-14H,3-5,12H2,1-2H3,(H2,22,23,26,30)/t14-/m1/s1