3,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3,5-dimethoxy-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)OC

InChI

InChI=1S/C22H18N4O4S/c1-28-16-9-14(10-17(12-16)29-2)20(27)26-22(31)24-15-3-4-19-18(11-15)25-21(30-19)13-5-7-23-8-6-13/h3-12H,1-2H3,(H2,24,26,27,31)