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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC2=CC=CC(=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1=CC=NC(=C1)COC2=CC=CC(=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C22H18N4O3S/c27-20(15-7-8-18-19(11-15)25-22(30)26-21(18)28)24-12-14-4-3-6-17(10-14)29-13-16-5-1-2-9-23-16/h1-11H,12-13H2,(H,24,27)(H2,25,26,28,30)