N-(2-tert-butyl-6-chloranyl-3-methyl-benzimidazol-5-yl)-4-methyl-4-oxidanidyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-tert-butyl-6-chloranyl-3-methyl-benzimidazol-5-yl)-4-methyl-4-oxidanidyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-tert-butyl-6-chloro-3-methyl-benzimidazol-5-yl)-4-methyl-4-oxido-piperazin-4-ium-1-carbothioamide CAS Name: N-(2-tert-butyl-6-chloro-3-methyl-5-benzimidazolyl)-4-methyl-4-oxido-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-tert-butyl-6-chloro-3-methylbenzimidazol-5-yl)-4-methyl-4-oxidopiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-tert-butyl-6-chloro-3-methyl-benzimidazol-5-yl)-4-methyl-4-oxido-piperazin-4-ium-1-carbothioamide Formula: C18H26ClN5OS MolecularWeight: 395.94994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1C)NC(=S)N3CC[N+](CC3)(C)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1C)NC(=S)N3CC[N+](CC3)(C)[O-])Cl

InChI

InChI=1S/C18H26ClN5OS/c1-18(2,3)16-20-14-10-12(19)13(11-15(14)22(16)4)21-17(26)23-6-8-24(5,25)9-7-23/h10-11H,6-9H2,1-5H3,(H,21,26)