N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide Formula: C15H17ClF3N3OS MolecularWeight: 379.82819

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C15H17ClF3N3OS/c1-10(23)21-5-2-6-22(8-7-21)14(24)20-11-3-4-13(16)12(9-11)15(17,18)19/h3-4,9H,2,5-8H2,1H3,(H,20,24)