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

Systemtic Name: ethyl 2-tert-butyl-6-[(1-methyl-4-oxidanidyl-piperazin-1-ium-1-yl)sulfanylcarbonylamino]-5-propylsulfanyl-benzimidazole-1-carboxylate Openeye Name: ethyl 2-tert-butyl-6-[(1-methyl-4-oxido-piperazin-1-ium-1-yl)sulfanylcarbonylamino]-5-propylsulfanyl-benzimidazole-1-carboxylate CAS Name: 2-tert-butyl-6-[[[(1-methyl-4-oxido-1-piperazin-1-iumyl)thio]-oxomethyl]amino]-5-(propylthio)-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-6-[(1-methyl-4-oxidopiperazin-1-ium-1-yl)sulfanylcarbonylamino]-5-propylsulfanylbenzimidazole-1-carboxylate Traditional Name: 2-tert-butyl-6-[[(1-methyl-4-oxido-piperazin-1-ium-1-yl)thio]carbonylamino]-5-(propylthio)benzimidazole-1-carboxylic acid ethyl ester Formula: C23H35N5O4S2 MolecularWeight: 509.6851

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)N=C(N2C(=O)OCC)C(C)(C)C)NC(=O)S[N+]3(CCN(CC3)[O-])C

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)N=C(N2C(=O)OCC)C(C)(C)C)NC(=O)S[N+]3(CCN(CC3)[O-])C

InChI

InChI=1S/C23H35N5O4S2/c1-7-13-33-19-15-16-18(27(22(30)32-8-2)20(24-16)23(3,4)5)14-17(19)25-21(29)34-28(6)11-9-26(31)10-12-28/h14-15H,7-13H2,1-6H3,(H,25,29)