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

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(6-fluorothiochroman-4-yl)-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H16FN3O2S2 MolecularWeight: 401.477643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F)NC1=S

InChI

InChI=1S/C19H16FN3O2S2/c1-23-18(25)12-4-2-10(8-15(12)22-19(23)26)17(24)21-14-6-7-27-16-5-3-11(20)9-13(14)16/h2-5,8-9,14H,6-7H2,1H3,(H,21,24)(H,22,26)