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

Systemtic Name: 3,5-dimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dimethoxy-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C22H21N3O3S/c1-27-19-12-17(13-20(14-19)28-2)21(26)25-22(29)24-18-5-3-15(4-6-18)11-16-7-9-23-10-8-16/h3-10,12-14H,11H2,1-2H3,(H2,24,25,26,29)