N-[4-[bis(fluoranyl)methoxy]phenyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]phenyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[4-(difluoromethoxy)phenyl]-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-(difluoromethoxy)phenyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-(difluoromethoxy)phenyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[4-(difluoromethoxy)phenyl]-4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H15F2N3O3S MolecularWeight: 439.434606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC(F)F)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC(F)F)NC2=S

InChI

InChI=1S/C22H15F2N3O3S/c23-21(24)30-16-9-7-14(8-10-16)25-19(28)13-6-11-17-18(12-13)26-22(31)27(20(17)29)15-4-2-1-3-5-15/h1-12,21H,(H,25,28)(H,26,31)