3-[2-chloranyl-5-(trifluoromethyl)phenyl]-N-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-N-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclohexyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclohexyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H19ClF3N3O2S MolecularWeight: 481.91837

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C22H19ClF3N3O2S/c23-16-9-7-13(22(24,25)26)11-18(16)29-20(31)15-8-6-12(10-17(15)28-21(29)32)19(30)27-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,27,30)(H,28,32)