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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-isobutyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(2-fluorophenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(2-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=C3F)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)CCC4=CC=CC=C4

InChI

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