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

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-[2-tert-butyl-6-chloranyl-3-(phenylmethyl)benzimidazol-5-yl]carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-(3-benzyl-2-tert-butyl-6-chloro-benzimidazol-5-yl)carbamothioate CAS Name: N-[2-tert-butyl-6-chloro-3-(phenylmethyl)-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-(3-benzyl-2-tert-butyl-6-chlorobenzimidazol-5-yl)carbamothioate Traditional Name: N-(3-benzyl-2-tert-butyl-6-chloro-benzimidazol-5-yl)thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C24H30ClN5O2S MolecularWeight: 488.0453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3)NC(=O)SN4CC[N+](CC4)(C)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3)NC(=O)SN4CC[N+](CC4)(C)[O-])Cl

InChI

InChI=1S/C24H30ClN5O2S/c1-24(2,3)22-26-20-14-18(25)19(15-21(20)29(22)16-17-8-6-5-7-9-17)27-23(31)33-28-10-12-30(4,32)13-11-28/h5-9,14-15H,10-13,16H2,1-4H3,(H,27,31)