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

Systemtic Name: 4-methoxy-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide hydrochloride Openeye Name: 4-methoxy-N-[[4-(2-methyl-1-piperidyl)phenyl]carbamothioyl]-3-nitro-benzamide hydrochloride CAS Name: 4-methoxy-N-[[4-(2-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide hydrochloride IUPAC Name: 4-methoxy-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide hydrochloride Traditional Name: 4-methoxy-N-[[4-(2-methylpiperidino)phenyl]thiocarbamoyl]-3-nitro-benzamide hydrochloride Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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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-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S.ClH/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);1H