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

Systemtic Name: 3,5-dimethoxy-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3,5-dimethoxy-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[2-(3-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=CN=CC=C4)OC

Isomeric SMILES

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

InChI

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