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

Systemtic Name: N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(ethylcarbamoyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(ethylcarbamoyl)-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H21FN4O3S MolecularWeight: 428.479843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4O3S/c1-3-23-20(29)25-18(27)13(2)30-21-24-17-7-5-4-6-16(17)19(28)26(21)12-14-8-10-15(22)11-9-14/h4-11,13H,3,12H2,1-2H3,(H2,23,25,27,29)