4-[bis(4-fluorophenyl)methyl]-N-cyclopropyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-cyclopropyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-cyclopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-cyclopropyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-cyclopropylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-cyclopropyl-piperazin-4-ium-1-carbothioamide Formula: C21H24F2N3S+ MolecularWeight: 388.497166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1NC(=S)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23F2N3S/c22-17-5-1-15(2-6-17)20(16-3-7-18(23)8-4-16)25-11-13-26(14-12-25)21(27)24-19-9-10-19/h1-8,19-20H,9-14H2,(H,24,27)/p+1