4-(1-ethylbenzimidazol-2-yl)-4-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1-ethylbenzimidazol-2-yl)-4-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-ethylbenzimidazol-2-yl)-4-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-ethyl-2-benzimidazolyl)-4-(4-fluorophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1-ethylbenzimidazol-2-yl)-4-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-ethylbenzimidazol-2-yl)-4-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Formula: C20H23FN5S+ MolecularWeight: 384.493523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1[N+]3(CCN(CC3)C(=S)N)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1[N+]3(CCN(CC3)C(=S)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN5S/c1-2-25-18-6-4-3-5-17(18)23-20(25)26(16-9-7-15(21)8-10-16)13-11-24(12-14-26)19(22)27/h3-10H,2,11-14H2,1H3,(H-,22,27)/p+1