2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(3-fluorophenyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(3-fluorophenyl)-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C25H20ClF2N3O2S MolecularWeight: 499.960006

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)C4=CC(=CC=C4)F

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H20ClF2N3O2S/c1-2-11-29-23(32)15-9-10-18-22(12-15)30-25(34-14-19-20(26)7-4-8-21(19)28)31(24(18)33)17-6-3-5-16(27)13-17/h3-10,12-13H,2,11,14H2,1H3,(H,29,32)