N-[3-[bis(fluoranyl)methylsulfonyl]phenyl]-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[3-[bis(fluoranyl)methylsulfonyl]phenyl]-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(difluoromethylsulfonyl)phenyl]-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C19H22F2N3O2S2+ MolecularWeight: 426.523686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C19H21F2N3O2S2/c20-18(21)28(25,26)17-8-4-7-16(13-17)22-19(27)24-11-9-23(10-12-24)14-15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2,(H,22,27)/p+1