N-(3-ethylpent-1-yn-3-yl)-3-(2-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-3-(2-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-3-(2-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-3-(2-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3F

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3F

InChI

InChI=1S/C22H20FN3O2S/c1-4-22(5-2,6-3)25-19(27)14-11-12-15-17(13-14)24-21(29)26(20(15)28)18-10-8-7-9-16(18)23/h1,7-13H,5-6H2,2-3H3,(H,24,29)(H,25,27)