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

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-[2-tert-butyl-6-chloranyl-3-(dimethylcarbamoyl)benzimidazol-5-yl]carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-[2-tert-butyl-6-chloro-3-(dimethylcarbamoyl)benzimidazol-5-yl]carbamothioate CAS Name: N-[2-tert-butyl-6-chloro-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-6-chloro-3-(dimethylcarbamoyl)benzimidazol-5-yl]carbamothioate Traditional Name: N-[2-tert-butyl-6-chloro-3-(dimethylcarbamoyl)benzimidazol-5-yl]thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C20H29ClN6O3S MolecularWeight: 469.00066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1C(=O)N(C)C)NC(=O)SN3CC[N+](CC3)(C)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1C(=O)N(C)C)NC(=O)SN3CC[N+](CC3)(C)[O-])Cl

InChI

InChI=1S/C20H29ClN6O3S/c1-20(2,3)17-22-15-11-13(21)14(12-16(15)26(17)19(29)24(4)5)23-18(28)31-25-7-9-27(6,30)10-8-25/h11-12H,7-10H2,1-6H3,(H,23,28)