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

Systemtic Name: 2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC=C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC=C

InChI

InChI=1S/C21H21N3O2S/c1-3-13-22-19(25)14-27-21-23-18-8-6-5-7-17(18)20(26)24(21)16-11-9-15(4-2)10-12-16/h3,5-12H,1,4,13-14H2,2H3,(H,22,25)