2-(3-butyl-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2-chloranyl-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(3-butyl-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2-chloranyl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(3-butyl-6-morpholino-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[3-butyl-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(3-butyl-4-keto-6-morpholino-quinazolin-2-yl)thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide Formula: C25H26ClF3N4O3S MolecularWeight: 555.01215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C25H26ClF3N4O3S/c1-2-3-8-33-23(35)18-14-17(32-9-11-36-12-10-32)5-7-20(18)31-24(33)37-15-22(34)30-21-13-16(25(27,28)29)4-6-19(21)26/h4-7,13-14H,2-3,8-12,15H2,1H3,(H,30,34)