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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N-isobutyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-N-isobutyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C28H27ClFN3O2S MolecularWeight: 524.049283

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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=C(C=C(C=C3)F)Cl)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClFN3O2S/c1-18(2)16-31-26(34)20-9-11-23-25(14-20)32-28(36-17-21-8-10-22(30)15-24(21)29)33(27(23)35)13-12-19-6-4-3-5-7-19/h3-11,14-15,18H,12-13,16-17H2,1-2H3,(H,31,34)