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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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