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

Systemtic Name: 4-(1-ethylbenzimidazol-2-yl)-4-(2-methylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-ethylbenzimidazol-2-yl)-4-isobutyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-ethyl-2-benzimidazolyl)-4-(2-methylpropyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1-ethylbenzimidazol-2-yl)-4-(2-methylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-ethylbenzimidazol-2-yl)-4-isobutyl-piperazin-4-ium-1-carbothioamide Formula: C18H28N5S+ MolecularWeight: 346.51342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5S/c1-4-22-16-8-6-5-7-15(16)20-18(22)23(13-14(2)3)11-9-21(10-12-23)17(19)24/h5-8,14H,4,9-13H2,1-3H3,(H-,19,24)/p+1