N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S/c1-34-23-15-13-22(14-16-23)17-18-29-26(32)20-35-28-30-25-12-6-5-11-24(25)27(33)31(28)19-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-16H,7,10,17-20H2,1H3,(H,29,32)