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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(3-chloro-4-fluoro-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H19ClFN3O2S MolecularWeight: 419.900163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClFN3O2S/c1-2-3-4-9-25-19(27)14-7-5-12(10-17(14)24-20(25)28)18(26)23-13-6-8-16(22)15(21)11-13/h5-8,10-11H,2-4,9H2,1H3,(H,23,26)(H,24,28)