N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-27-17-7-6-8-18(28-2)19(17)20(26)24-21(29)23-14-9-10-16(15(22)13-14)25-11-4-3-5-12-25/h6-10,13H,3-5,11-12H2,1-2H3,(H2,23,24,26,29)