2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopentyl-propanamide

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopentyl-propanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopentyl-propanamide CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopentylpropanamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylpropanamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-cyclopentyl-propionamide Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC(C(=O)NC1CCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN3O2S/c1-13(20(28)25-14-6-2-3-7-14)30-22-26-19-9-5-4-8-16(19)21(29)27(22)15-10-11-18(24)17(23)12-15/h4-5,8-14H,2-3,6-7H2,1H3,(H,25,28)