3-(3-fluorophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 3-(3-fluorophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-4-oxo-2-(phenylmethylthio)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-3-(3-fluorophenyl)-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22FN3O2S/c1-2-13-27-23(30)18-11-12-21-22(14-18)28-25(32-16-17-7-4-3-5-8-17)29(24(21)31)20-10-6-9-19(26)15-20/h3-12,14-15H,2,13,16H2,1H3,(H,27,30)