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

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-(2-tert-butyl-6-chloranyl-1H-benzimidazol-5-yl)carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-(2-tert-butyl-6-chloro-1H-benzimidazol-5-yl)carbamothioate CAS Name: N-(2-tert-butyl-6-chloro-1H-benzimidazol-5-yl)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-1H-benzimidazol-5-yl)carbamothioate Traditional Name: N-(2-tert-butyl-6-chloro-1H-benzimidazol-5-yl)thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C17H24ClN5O2S MolecularWeight: 397.92276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1)Cl)NC(=O)SN3CC[N+](CC3)(C)[O-]

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1)Cl)NC(=O)SN3CC[N+](CC3)(C)[O-]

InChI

InChI=1S/C17H24ClN5O2S/c1-17(2,3)15-19-13-9-11(18)12(10-14(13)20-15)21-16(24)26-22-5-7-23(4,25)8-6-22/h9-10H,5-8H2,1-4H3,(H,19,20)(H,21,24)