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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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