4-chloranyl-3,5-dimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3,5-dimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-chloro-3,5-dimethoxy-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-chloro-3,5-dimethoxy-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3,5-dimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-chloro-3,5-dimethoxy-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Cl)OC)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC(=CC(=C1Cl)OC)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C22H20ClN3O3S/c1-28-18-12-16(13-19(29-2)20(18)23)21(27)26-22(30)25-17-5-3-14(4-6-17)11-15-7-9-24-10-8-15/h3-10,12-13H,11H2,1-2H3,(H2,25,26,27,30)