2-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)benzenecarbothioamide Openeye Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)benzenecarbothioamide CAS Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)benzenecarbothioamide IUPAC Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)benzenecarbothioamide Traditional Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)thiobenzamide Formula: C14H18F3N3S MolecularWeight: 317.37303

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)C(=S)N

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)C(=S)N

InChI

InChI=1S/C14H18F3N3S/c1-19-5-2-6-20(8-7-19)12-4-3-10(14(15,16)17)9-11(12)13(18)21/h3-4,9H,2,5-8H2,1H3,(H2,18,21)