4-[bis(fluoranyl)methylsulfanyl]-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-propyl-benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-propyl-benzamide Openeye Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-(difluoromethylsulfanyl)-N-propyl-benzamide CAS Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-(difluoromethylthio)-N-propylbenzamide IUPAC Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-(difluoromethylsulfanyl)-N-propylbenzamide Traditional Name: N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-4-(difluoromethylthio)-N-propyl-benzamide Formula: C20H18ClF2N3O2S MolecularWeight: 437.890626

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C20H18ClF2N3O2S/c1-2-9-26(19(28)12-3-6-14(7-4-12)29-20(22)23)11-17-24-16-10-13(21)5-8-15(16)18(27)25-17/h3-8,10,20H,2,9,11H2,1H3,(H,24,25,27)