2,6-dimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,6-dimethoxy-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2,6-dimethoxy-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,6-dimethoxy-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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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)CC3=CC=NC=C3

Isomeric SMILES

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

InChI

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