N-[2-(2,4-dichlorophenyl)ethyl]-5-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-pentanamide

Systemtic Name: N-[2-(2,4-dichlorophenyl)ethyl]-5-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-pentanamide Openeye Name: N-[2-(2,4-dichlorophenyl)ethyl]-5-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-pentanamide CAS Name: N-[2-(2,4-dichlorophenyl)ethyl]-5-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]pentanamide IUPAC Name: N-[2-(2,4-dichlorophenyl)ethyl]-5-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide Traditional Name: N-[2-(2,4-dichlorophenyl)ethyl]-5-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]valeramide Formula: C27H24Cl2FN3O2S MolecularWeight: 544.467763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NCCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NCCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4F

InChI

InChI=1S/C27H24Cl2FN3O2S/c28-19-13-12-18(21(29)17-19)14-15-31-25(34)11-5-6-16-36-27-32-23-9-3-1-7-20(23)26(35)33(27)24-10-4-2-8-22(24)30/h1-4,7-10,12-13,17H,5-6,11,14-16H2,(H,31,34)