N-ethyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-ethyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide Openeye Name: N-ethyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide CAS Name: N-ethyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-ethyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide Traditional Name: N-ethyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide Formula: C14H19F3N4S MolecularWeight: 332.38767

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCNC(=S)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H19F3N4S/c1-2-18-13(22)21-7-3-6-20(8-9-21)12-5-4-11(10-19-12)14(15,16)17/h4-5,10H,2-3,6-9H2,1H3,(H,18,22)