N-(ethylcarbamoyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(ethylcarbamoyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(ethylcarbamoyl)-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(ethylcarbamoyl)-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(ethylcarbamoyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(ethylcarbamoyl)-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C21H22N4O3S/c1-4-22-20(28)24-18(26)14(3)29-21-23-16-11-7-6-10-15(16)19(27)25(21)17-12-8-5-9-13(17)2/h5-12,14H,4H2,1-3H3,(H2,22,24,26,28)