4-methoxy-N-[4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]benzamide

Systemtic Name: 4-methoxy-N-[4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]benzamide Openeye Name: 4-methoxy-N-[4-oxo-2-(3-pyridylmethylsulfanyl)quinazolin-3-yl]benzamide CAS Name: 4-methoxy-N-[4-oxo-2-(3-pyridinylmethylthio)-3-quinazolinyl]benzamide IUPAC Name: 4-methoxy-N-[4-oxo-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]benzamide Traditional Name: N-[4-keto-2-(3-pyridylmethylthio)quinazolin-3-yl]-4-methoxy-benzamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4

InChI

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