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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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