N-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(3-fluoro-4-methyl-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)F)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)F)NC1=S

InChI

InChI=1S/C21H22FN3O2S/c1-3-4-5-10-25-20(27)16-9-7-14(11-18(16)24-21(25)28)19(26)23-15-8-6-13(2)17(22)12-15/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,26)(H,24,28)