S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-(2-tert-butyl-6-chloranyl-3-methylsulfonyl-benzimidazol-5-yl)carbamothioate

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-(2-tert-butyl-6-chloranyl-3-methylsulfonyl-benzimidazol-5-yl)carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-(2-tert-butyl-6-chloro-3-methylsulfonyl-benzimidazol-5-yl)carbamothioate CAS Name: N-(2-tert-butyl-6-chloro-3-methylsulfonyl-5-benzimidazolyl)carbamothioic acid S-[(4-methyl-4-oxido-1-piperazin-4-iumyl)] ester IUPAC Name: S-(4-methyl-4-oxidopiperazin-4-ium-1-yl) N-(2-tert-butyl-6-chloro-3-methylsulfonylbenzimidazol-5-yl)carbamothioate Traditional Name: N-(2-tert-butyl-6-chloro-3-mesyl-benzimidazol-5-yl)thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C18H26ClN5O4S2 MolecularWeight: 476.01314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1S(=O)(=O)C)NC(=O)SN3CC[N+](CC3)(C)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1S(=O)(=O)C)NC(=O)SN3CC[N+](CC3)(C)[O-])Cl

InChI

InChI=1S/C18H26ClN5O4S2/c1-18(2,3)16-20-14-10-12(19)13(11-15(14)23(16)30(5,27)28)21-17(25)29-22-6-8-24(4,26)9-7-22/h10-11H,6-9H2,1-5H3,(H,21,25)