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

Systemtic Name: N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[4-methoxy-3-(4-pyridylmethoxy)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[4-methoxy-3-(4-pyridylmethoxy)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)OCC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)OCC4=CC=NC=C4

InChI

InChI=1S/C22H18N4O4S/c1-29-18-5-3-15(11-19(18)30-12-13-6-8-23-9-7-13)24-20(27)14-2-4-16-17(10-14)25-22(31)26-21(16)28/h2-11H,12H2,1H3,(H,24,27)(H2,25,26,28,31)