2-[2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-methyl-amino]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]acetyl]-methyl-amino]-N-cyclopropyl-acetamide Formula: C22H20ClFN4O3S MolecularWeight: 474.935603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H20ClFN4O3S/c1-27(11-19(29)25-13-6-7-13)20(30)12-32-22-26-18-5-3-2-4-15(18)21(31)28(22)14-8-9-17(24)16(23)10-14/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,25,29)