2-[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C21H15FN4O3S2 MolecularWeight: 454.497203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O3S2/c22-12-5-7-13(8-6-12)26-20(29)14-3-1-2-4-16(14)24-21(26)31-11-17(27)25-19-15(18(23)28)9-10-30-19/h1-10H,11H2,(H2,23,28)(H,25,27)