3-(3-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(3-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-2-[(3-fluorophenyl)methylthio]-N-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-fluorobenzyl)thio]-3-(3-fluorophenyl)-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C25H21F2N3O3S MolecularWeight: 481.514346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)C4=CC(=CC=C4)F

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H21F2N3O3S/c1-33-11-10-28-23(31)17-8-9-21-22(13-17)29-25(34-15-16-4-2-5-18(26)12-16)30(24(21)32)20-7-3-6-19(27)14-20/h2-9,12-14H,10-11,15H2,1H3,(H,28,31)