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

Systemtic Name: N-butyl-N-ethyl-3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-butyl-N-ethyl-3-(4-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-butyl-N-ethyl-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-butyl-N-ethyl-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-butyl-N-ethyl-3-(4-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)F

InChI

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