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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(4-fluorobenzyl)-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)NCC3=CC=C(C=C3)F)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)NC1=S

InChI

InChI=1S/C21H22FN3O2S/c1-2-3-4-11-25-20(27)17-10-7-15(12-18(17)24-21(25)28)19(26)23-13-14-5-8-16(22)9-6-14/h5-10,12H,2-4,11,13H2,1H3,(H,23,26)(H,24,28)