2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-homoveratryl-4-keto-quinazolin-2-yl)thio]-N-phenethyl-acetamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H29N3O4S/c1-34-24-13-12-21(18-25(24)35-2)15-17-31-27(33)22-10-6-7-11-23(22)30-28(31)36-19-26(32)29-16-14-20-8-4-3-5-9-20/h3-13,18H,14-17,19H2,1-2H3,(H,29,32)