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

Systemtic Name: 2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-(4-phenoxyphenyl)acetamide Formula: C28H22N4O3S MolecularWeight: 494.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H22N4O3S/c1-19-15-16-29-25(17-19)32-27(34)23-9-5-6-10-24(23)31-28(32)36-18-26(33)30-20-11-13-22(14-12-20)35-21-7-3-2-4-8-21/h2-17H,18H2,1H3,(H,30,33)