N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-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-cyanoethyl)-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C23H22N4O3S/c1-3-14-27-22(29)17-9-4-5-10-18(17)25-23(27)31-16-21(28)26(15-8-13-24)19-11-6-7-12-20(19)30-2/h3-7,9-12H,1,8,14-16H2,2H3