3-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-4aH-quinazoline-7-carboxamide

Systemtic Name: 3-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-4aH-quinazoline-7-carboxamide Openeye Name: 3-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-4aH-quinazoline-7-carboxamide CAS Name: 3-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-4aH-quinazoline-7-carboxamide IUPAC Name: 3-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-4aH-quinazoline-7-carboxamide Traditional Name: 3-(2,5-dimethoxyphenyl)-N-(4-fluorobenzyl)-4-keto-2-thioxo-4aH-quinazoline-7-carboxamide Formula: C24H20FN3O4S MolecularWeight: 465.496703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3C=CC(=CC3=NC2=S)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3C=CC(=CC3=NC2=S)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O4S/c1-31-17-8-10-21(32-2)20(12-17)28-23(30)18-9-5-15(11-19(18)27-24(28)33)22(29)26-13-14-3-6-16(25)7-4-14/h3-12,18H,13H2,1-2H3,(H,26,29)