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

Systemtic Name: N-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21F2N3O5S MolecularWeight: 465.470346

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)OC(F)F)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)OC(F)F)NC1=S

InChI

InChI=1S/C21H21F2N3O5S/c1-29-9-3-8-26-19(28)14-6-4-12(10-15(14)25-21(26)32)18(27)24-13-5-7-16(30-2)17(11-13)31-20(22)23/h4-7,10-11,20H,3,8-9H2,1-2H3,(H,24,27)(H,25,32)