N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C14H20F2N3S2+ MolecularWeight: 332.455506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C14H19F2N3S2/c1-18-7-2-8-19(10-9-18)14(20)17-11-3-5-12(6-4-11)21-13(15)16/h3-6,13H,2,7-10H2,1H3,(H,17,20)/p+1