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

Systemtic Name: 3-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-2-[(2-fluorophenyl)methylthio]-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-fluorobenzyl)thio]-3-(3-fluorophenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C26H23F2N3O2S MolecularWeight: 479.541526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H23F2N3O2S/c1-16(2)14-29-24(32)17-10-11-21-23(12-17)30-26(34-15-18-6-3-4-9-22(18)28)31(25(21)33)20-8-5-7-19(27)13-20/h3-13,16H,14-15H2,1-2H3,(H,29,32)