2-tert-butyl-5-methoxy-N,N-dimethyl-6-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)carbothioylamino]benzimidazole-1-carboxamide

Systemtic Name: 2-tert-butyl-5-methoxy-N,N-dimethyl-6-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)carbothioylamino]benzimidazole-1-carboxamide Openeye Name: 2-tert-butyl-5-methoxy-N,N-dimethyl-6-[(4-methyl-4-oxido-piperazin-4-ium-1-carbothioyl)amino]benzimidazole-1-carboxamide CAS Name: 2-tert-butyl-5-methoxy-N,N-dimethyl-6-[[(4-methyl-4-oxido-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]-1-benzimidazolecarboxamide IUPAC Name: 2-tert-butyl-5-methoxy-N,N-dimethyl-6-[(4-methyl-4-oxidopiperazin-4-ium-1-carbothioyl)amino]benzimidazole-1-carboxamide Traditional Name: 2-tert-butyl-5-methoxy-N,N-dimethyl-6-[(4-methyl-4-oxido-piperazin-4-ium-1-carbothioyl)amino]benzimidazole-1-carboxamide Formula: C21H32N6O3S MolecularWeight: 448.58218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O3S/c1-21(2,3)18-22-14-13-17(30-7)15(12-16(14)26(18)20(28)24(4)5)23-19(31)25-8-10-27(6,29)11-9-25/h12-13H,8-11H2,1-7H3,(H,23,31)