5-bromanyl-2-methoxy-3-methyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H20BrN3O2S MolecularWeight: 470.3821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C22H20BrN3O2S/c1-14-11-17(23)13-19(20(14)28-2)21(27)26-22(29)25-18-5-3-15(4-6-18)12-16-7-9-24-10-8-16/h3-11,13H,12H2,1-2H3,(H2,25,26,27,29)