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

Systemtic Name: N-[[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[3-(difluoromethoxy)-4-methoxy-phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(difluoromethoxy)-4-methoxy-benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H15F2N3O4S MolecularWeight: 407.391206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)OC(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)OC(F)F

InChI

InChI=1S/C18H15F2N3O4S/c1-26-13-5-2-9(6-14(13)27-17(19)20)8-21-15(24)10-3-4-11-12(7-10)22-18(28)23-16(11)25/h2-7,17H,8H2,1H3,(H,21,24)(H2,22,23,25,28)