N-(4-ethoxyphenyl)-2-[4-oxidanylidene-3-(1-phenylbutan-2-yl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-oxidanylidene-3-(1-phenylbutan-2-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(1-benzylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[4-oxo-3-(1-phenylbutan-2-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-oxo-3-(1-phenylbutan-2-yl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(1-benzylpropyl)-4-keto-quinazolin-2-yl]thio]-N-p-phenetyl-acetamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)OCC

Isomeric SMILES

CCC(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)OCC

InChI

InChI=1S/C28H29N3O3S/c1-3-22(18-20-10-6-5-7-11-20)31-27(33)24-12-8-9-13-25(24)30-28(31)35-19-26(32)29-21-14-16-23(17-15-21)34-4-2/h5-17,22H,3-4,18-19H2,1-2H3,(H,29,32)