N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(6-fluorothiochroman-4-yl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22FN3O3S2 MolecularWeight: 459.556783

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F)NC1=S

InChI

InChI=1S/C22H22FN3O3S2/c1-29-9-2-8-26-21(28)15-5-3-13(11-18(15)25-22(26)30)20(27)24-17-7-10-31-19-6-4-14(23)12-16(17)19/h3-6,11-12,17H,2,7-10H2,1H3,(H,24,27)(H,25,30)