2-[2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C21H14ClFN4O3S2 MolecularWeight: 488.942263

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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)Cl

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)Cl

InChI

InChI=1S/C21H14ClFN4O3S2/c22-14-9-11(5-6-15(14)23)27-20(30)12-3-1-2-4-16(12)25-21(27)32-10-17(28)26-19-13(18(24)29)7-8-31-19/h1-9H,10H2,(H2,24,29)(H,26,28)