N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C21H21ClFN3O3S MolecularWeight: 449.926143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H21ClFN3O3S/c1-25(12-15-16(22)7-4-8-17(15)23)19(28)13-30-21-24-18-9-3-2-6-14(18)20(29)26(21)10-5-11-27/h2-4,6-9,27H,5,10-13H2,1H3