2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-[2-(2-thienyl)ethyl]acetamide Formula: C22H17ClFN3O2S2 MolecularWeight: 473.970683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC=CS3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC=CS3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H17ClFN3O2S2/c23-17-12-14(7-8-18(17)24)27-21(29)16-5-1-2-6-19(16)26-22(27)31-13-20(28)25-10-9-15-4-3-11-30-15/h1-8,11-12H,9-10,13H2,(H,25,28)