ethyl 2-tert-butyl-5-methoxy-6-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)carbothioylamino]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-tert-butyl-5-methoxy-6-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)carbothioylamino]benzimidazole-1-carboxylate Openeye Name: ethyl 2-tert-butyl-5-methoxy-6-[(4-methyl-4-oxido-piperazin-4-ium-1-carbothioyl)amino]benzimidazole-1-carboxylate CAS Name: 2-tert-butyl-5-methoxy-6-[[(4-methyl-4-oxido-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-5-methoxy-6-[(4-methyl-4-oxidopiperazin-4-ium-1-carbothioyl)amino]benzimidazole-1-carboxylate Traditional Name: 2-tert-butyl-5-methoxy-6-[(4-methyl-4-oxido-piperazin-4-ium-1-carbothioyl)amino]benzimidazole-1-carboxylic acid ethyl ester Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC(=C(C=C2N=C1C(C)(C)C)OC)NC(=S)N3CC[N+](CC3)(C)[O-]

Isomeric SMILES

CCOC(=O)N1C2=CC(=C(C=C2N=C1C(C)(C)C)OC)NC(=S)N3CC[N+](CC3)(C)[O-]

InChI

InChI=1S/C21H31N5O4S/c1-7-30-20(27)25-16-12-15(23-19(31)24-8-10-26(5,28)11-9-24)17(29-6)13-14(16)22-18(25)21(2,3)4/h12-13H,7-11H2,1-6H3,(H,23,31)