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

Systemtic Name: 3-(3-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-N-isobutyl-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-2-[(4-methylphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3-fluorophenyl)-N-isobutyl-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C27H26FN3O2S MolecularWeight: 475.577643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2C4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2C4=CC(=CC=C4)F

InChI

InChI=1S/C27H26FN3O2S/c1-17(2)15-29-25(32)20-11-12-23-24(13-20)30-27(34-16-19-9-7-18(3)8-10-19)31(26(23)33)22-6-4-5-21(28)14-22/h4-14,17H,15-16H2,1-3H3,(H,29,32)