N-(2-fluorophenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2-fluorophenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-fluorophenyl)-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2-fluorophenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-fluorophenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(2-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3F)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3F)NC1=S

InChI

InChI=1S/C20H20FN3O2S/c1-2-3-6-11-24-19(26)14-10-9-13(12-17(14)23-20(24)27)18(25)22-16-8-5-4-7-15(16)21/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,22,25)(H,23,27)