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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-N,3-diisobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-fluorophenyl)methylthio]-N,3-bis(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-fluorobenzyl)thio]-N,3-diisobutyl-4-keto-quinazoline-7-carboxamide Formula: C24H28FN3O2S MolecularWeight: 441.561423

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28FN3O2S/c1-15(2)12-26-22(29)18-8-9-20-21(11-18)27-24(28(23(20)30)13-16(3)4)31-14-17-6-5-7-19(25)10-17/h5-11,15-16H,12-14H2,1-4H3,(H,26,29)