4-[bis(4-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C27H30F2N3OS+ MolecularWeight: 482.608406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H29F2N3OS/c1-33-25-12-2-20(3-13-25)14-15-30-27(34)32-18-16-31(17-19-32)26(21-4-8-23(28)9-5-21)22-6-10-24(29)11-7-22/h2-13,26H,14-19H2,1H3,(H,30,34)/p+1