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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-isobutyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3-fluorophenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(3-fluorobenzyl)thio]-N-isobutyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C28H28FN3O2S MolecularWeight: 489.604223

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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=C3)F)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CCC4=CC=CC=C4

InChI

InChI=1S/C28H28FN3O2S/c1-19(2)17-30-26(33)22-11-12-24-25(16-22)31-28(35-18-21-9-6-10-23(29)15-21)32(27(24)34)14-13-20-7-4-3-5-8-20/h3-12,15-16,19H,13-14,17-18H2,1-2H3,(H,30,33)