2-(azepan-1-yl)-5-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: 2-(azepan-1-yl)-5-(trifluoromethyl)benzenecarbothioamide Openeye Name: 2-(azepan-1-yl)-5-(trifluoromethyl)benzenecarbothioamide CAS Name: 2-(1-azepanyl)-5-(trifluoromethyl)benzenecarbothioamide IUPAC Name: 2-(azepan-1-yl)-5-(trifluoromethyl)benzenecarbothioamide Traditional Name: 2-(azepan-1-yl)-5-(trifluoromethyl)thiobenzamide Formula: C14H17F3N2S MolecularWeight: 302.35839

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)C(=S)N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)C(=S)N

InChI

InChI=1S/C14H17F3N2S/c15-14(16,17)10-5-6-12(11(9-10)13(18)20)19-7-3-1-2-4-8-19/h5-6,9H,1-4,7-8H2,(H2,18,20)