2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-isobutyl-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-(2-methylpropyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-3-isobutyl-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C23H25ClFN3O2S MolecularWeight: 461.979903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClFN3O2S/c1-4-9-26-21(29)15-6-8-18-20(10-15)27-23(28(22(18)30)12-14(2)3)31-13-16-5-7-17(25)11-19(16)24/h5-8,10-11,14H,4,9,12-13H2,1-3H3,(H,26,29)