4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-methyl-4-propan-2-yl-phenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-methyl-4-propan-2-yl-phenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-isopropyl-3-methyl-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methyl-4-propan-2-ylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-methyl-4-propan-2-ylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-isopropyl-3-methyl-phenyl)-1,4-diazepane-1-carbothioamide Formula: C22H26ClF3N4S MolecularWeight: 470.98185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C(C)C

InChI

InChI=1S/C22H26ClF3N4S/c1-14(2)18-6-5-17(11-15(18)3)28-21(31)30-8-4-7-29(9-10-30)20-19(23)12-16(13-27-20)22(24,25)26/h5-6,11-14H,4,7-10H2,1-3H3,(H,28,31)