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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)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-diethoxyphenyl)ethyl]acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)OCC

InChI

InChI=1S/C25H29N3O4S/c1-4-15-28-24(30)19-9-7-8-10-20(19)27-25(28)33-17-23(29)26-14-13-18-11-12-21(31-5-2)22(16-18)32-6-3/h4,7-12,16H,1,5-6,13-15,17H2,2-3H3,(H,26,29)