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

Systemtic Name: ethyl 2-tert-butyl-6-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfanylcarbonylamino]benzimidazole-1-carboxylate Openeye Name: ethyl 2-tert-butyl-6-[(4-methyl-4-oxido-piperazin-4-ium-1-yl)sulfanylcarbonylamino]benzimidazole-1-carboxylate CAS Name: 2-tert-butyl-6-[[[(4-methyl-4-oxido-1-piperazin-4-iumyl)thio]-oxomethyl]amino]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-6-[(4-methyl-4-oxidopiperazin-4-ium-1-yl)sulfanylcarbonylamino]benzimidazole-1-carboxylate Traditional Name: 2-tert-butyl-6-[[(4-methyl-4-oxido-piperazin-4-ium-1-yl)thio]carbonylamino]benzimidazole-1-carboxylic acid ethyl ester Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(C=CC(=C2)NC(=O)SN3CC[N+](CC3)(C)[O-])N=C1C(C)(C)C

Isomeric SMILES

CCOC(=O)N1C2=C(C=CC(=C2)NC(=O)SN3CC[N+](CC3)(C)[O-])N=C1C(C)(C)C

InChI

InChI=1S/C20H29N5O4S/c1-6-29-19(27)24-16-13-14(7-8-15(16)22-17(24)20(2,3)4)21-18(26)30-23-9-11-25(5,28)12-10-23/h7-8,13H,6,9-12H2,1-5H3,(H,21,26)