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

Systemtic Name: ethyl 2-tert-butyl-5-chloranyl-6-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfanylcarbonylamino]benzimidazole-1-carboxylate Openeye Name: ethyl 2-tert-butyl-5-chloro-6-[(4-methyl-4-oxido-piperazin-4-ium-1-yl)sulfanylcarbonylamino]benzimidazole-1-carboxylate CAS Name: 2-tert-butyl-5-chloro-6-[[[(4-methyl-4-oxido-1-piperazin-4-iumyl)thio]-oxomethyl]amino]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-5-chloro-6-[(4-methyl-4-oxidopiperazin-4-ium-1-yl)sulfanylcarbonylamino]benzimidazole-1-carboxylate Traditional Name: 2-tert-butyl-5-chloro-6-[[(4-methyl-4-oxido-piperazin-4-ium-1-yl)thio]carbonylamino]benzimidazole-1-carboxylic acid ethyl ester Formula: C20H28ClN5O4S MolecularWeight: 469.98542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC(=C(C=C2N=C1C(C)(C)C)Cl)NC(=O)SN3CC[N+](CC3)(C)[O-]

Isomeric SMILES

CCOC(=O)N1C2=CC(=C(C=C2N=C1C(C)(C)C)Cl)NC(=O)SN3CC[N+](CC3)(C)[O-]

InChI

InChI=1S/C20H28ClN5O4S/c1-6-30-19(28)25-16-12-14(13(21)11-15(16)22-17(25)20(2,3)4)23-18(27)31-24-7-9-26(5,29)10-8-24/h11-12H,6-10H2,1-5H3,(H,23,27)