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

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)benzimidazol-5-yl]carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)benzimidazol-5-yl]carbamothioate CAS Name: N-[2-tert-butyl-3-[dimethylamino(oxo)methyl]-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-3-(dimethylcarbamoyl)benzimidazol-5-yl]carbamothioate Traditional Name: N-[2-tert-butyl-3-(dimethylcarbamoyl)benzimidazol-5-yl]thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C20H30N6O3S MolecularWeight: 434.5556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1C(=O)N(C)C)C=C(C=C2)NC(=O)SN3CC[N+](CC3)(C)[O-]

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1C(=O)N(C)C)C=C(C=C2)NC(=O)SN3CC[N+](CC3)(C)[O-]

InChI

InChI=1S/C20H30N6O3S/c1-20(2,3)17-22-15-8-7-14(13-16(15)25(17)19(28)23(4)5)21-18(27)30-24-9-11-26(6,29)12-10-24/h7-8,13H,9-12H2,1-6H3,(H,21,27)