N-(2-tert-butyl-6-methoxy-3-methylsulfonyl-benzimidazol-5-yl)-4-methyl-4-oxidanidyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-tert-butyl-6-methoxy-3-methylsulfonyl-benzimidazol-5-yl)-4-methyl-4-oxidanidyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-tert-butyl-6-methoxy-3-methylsulfonyl-benzimidazol-5-yl)-4-methyl-4-oxido-piperazin-4-ium-1-carbothioamide CAS Name: N-(2-tert-butyl-6-methoxy-3-methylsulfonyl-5-benzimidazolyl)-4-methyl-4-oxido-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-tert-butyl-6-methoxy-3-methylsulfonylbenzimidazol-5-yl)-4-methyl-4-oxidopiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-tert-butyl-3-mesyl-6-methoxy-benzimidazol-5-yl)-4-methyl-4-oxido-piperazin-4-ium-1-carbothioamide Formula: C19H29N5O4S2 MolecularWeight: 455.59466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1S(=O)(=O)C)NC(=S)N3CC[N+](CC3)(C)[O-])OC

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1S(=O)(=O)C)NC(=S)N3CC[N+](CC3)(C)[O-])OC

InChI

InChI=1S/C19H29N5O4S2/c1-19(2,3)17-20-13-12-16(28-5)14(11-15(13)23(17)30(6,26)27)21-18(29)22-7-9-24(4,25)10-8-22/h11-12H,7-10H2,1-6H3,(H,21,29)