N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H21ClF3N3O2S MolecularWeight: 495.94495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C23H21ClF3N3O2S/c24-14-10-11-19(17(12-14)23(25,26)27)28-20(31)13-33-22-29-18-9-5-4-8-16(18)21(32)30(22)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2,(H,28,31)