N-(2-tert-butylsulfanylethyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide Formula: C18H26ClF3N4OS MolecularWeight: 438.93845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)SCCNC(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C18H26ClF3N4OS/c1-17(2,3)28-10-5-23-16(27)26-7-4-6-25(8-9-26)15-14(19)11-13(12-24-15)18(20,21)22/h11-12H,4-10H2,1-3H3,(H,23,27)