N-(2-tert-butyl-3-methyl-benzimidazol-5-yl)-4-methyl-4-oxidanidyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-tert-butyl-3-methyl-benzimidazol-5-yl)-4-methyl-4-oxidanidyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-tert-butyl-3-methyl-benzimidazol-5-yl)-4-methyl-4-oxido-piperazin-4-ium-1-carbothioamide CAS Name: N-(2-tert-butyl-3-methyl-5-benzimidazolyl)-4-methyl-4-oxido-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-tert-butyl-3-methylbenzimidazol-5-yl)-4-methyl-4-oxidopiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-tert-butyl-3-methyl-benzimidazol-5-yl)-4-methyl-4-oxido-piperazin-4-ium-1-carbothioamide Formula: C18H27N5OS MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1C)C=C(C=C2)NC(=S)N3CC[N+](CC3)(C)[O-]

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1C)C=C(C=C2)NC(=S)N3CC[N+](CC3)(C)[O-]

InChI

InChI=1S/C18H27N5OS/c1-18(2,3)16-20-14-7-6-13(12-15(14)21(16)4)19-17(25)22-8-10-23(5,24)11-9-22/h6-7,12H,8-11H2,1-5H3,(H,19,25)