2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-N-(3-phenoxyphenyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-N-(3-phenoxyphenyl)ethanamide Openeye Name: 2-[4-oxo-3-(4-pyridylmethyl)quinazolin-2-yl]sulfanyl-N-(3-phenoxyphenyl)acetamide CAS Name: 2-[[4-oxo-3-(pyridin-4-ylmethyl)-2-quinazolinyl]thio]-N-(3-phenoxyphenyl)acetamide IUPAC Name: 2-[4-oxo-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-N-(3-phenoxyphenyl)acetamide Traditional Name: 2-[[4-keto-3-(4-pyridylmethyl)quinazolin-2-yl]thio]-N-(3-phenoxyphenyl)acetamide Formula: C28H22N4O3S MolecularWeight: 494.56428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=NC=C5

InChI

InChI=1S/C28H22N4O3S/c33-26(30-21-7-6-10-23(17-21)35-22-8-2-1-3-9-22)19-36-28-31-25-12-5-4-11-24(25)27(34)32(28)18-20-13-15-29-16-14-20/h1-17H,18-19H2,(H,30,33)