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

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-[2-tert-butyl-3-(phenylmethyl)benzimidazol-5-yl]carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-(3-benzyl-2-tert-butyl-benzimidazol-5-yl)carbamothioate CAS Name: N-[2-tert-butyl-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-butylbenzimidazol-5-yl)carbamothioate Traditional Name: N-(3-benzyl-2-tert-butyl-benzimidazol-5-yl)thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C24H31N5O2S MolecularWeight: 453.60024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC(=O)SN4CC[N+](CC4)(C)[O-]

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC(=O)SN4CC[N+](CC4)(C)[O-]

InChI

InChI=1S/C24H31N5O2S/c1-24(2,3)22-26-20-11-10-19(16-21(20)28(22)17-18-8-6-5-7-9-18)25-23(30)32-27-12-14-29(4,31)15-13-27/h5-11,16H,12-15,17H2,1-4H3,(H,25,30)