N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H17F2N3O5S MolecularWeight: 449.427886

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)NC1=S

InChI

InChI=1S/C20H17F2N3O5S/c1-28-8-2-7-25-18(27)13-5-3-11(9-14(13)24-19(25)31)17(26)23-12-4-6-15-16(10-12)30-20(21,22)29-15/h3-6,9-10H,2,7-8H2,1H3,(H,23,26)(H,24,31)