2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[6-ethyl-2-(m-tolyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: 2-[[6-ethyl-2-(3-methylphenyl)-4-quinazolinyl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[6-ethyl-2-(m-tolyl)quinazolin-4-yl]thio]acetamide Formula: C22H23N3OS MolecularWeight: 377.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NCC=C)C3=CC(=CC=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NCC=C)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H23N3OS/c1-4-11-23-20(26)14-27-22-18-13-16(5-2)9-10-19(18)24-21(25-22)17-8-6-7-15(3)12-17/h4,6-10,12-13H,1,5,11,14H2,2-3H3,(H,23,26)