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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-homoveratryl-acetamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)OC

InChI

InChI=1S/C23H25N3O4S/c1-4-13-26-22(28)17-7-5-6-8-18(17)25-23(26)31-15-21(27)24-12-11-16-9-10-19(29-2)20(14-16)30-3/h4-10,14H,1,11-13,15H2,2-3H3,(H,24,27)