3-methyl-4-oxidanylidene-N-[3-(pyridin-2-ylmethoxy)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[3-(pyridin-2-ylmethoxy)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-[3-(2-pyridylmethoxy)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[3-(2-pyridinylmethoxy)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-[3-(2-pyridylmethoxy)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OCC4=CC=CC=N4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OCC4=CC=CC=N4)NC1=S

InChI

InChI=1S/C22H18N4O3S/c1-26-21(28)18-9-8-14(11-19(18)25-22(26)30)20(27)24-15-6-4-7-17(12-15)29-13-16-5-2-3-10-23-16/h2-12H,13H2,1H3,(H,24,27)(H,25,30)