S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-(2-tert-butyl-6-methoxy-3H-benzimidazol-5-yl)carbamothioate

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-(2-tert-butyl-6-methoxy-3H-benzimidazol-5-yl)carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-(2-tert-butyl-6-methoxy-3H-benzimidazol-5-yl)carbamothioate CAS Name: N-(2-tert-butyl-6-methoxy-3H-benzimidazol-5-yl)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-methoxy-3H-benzimidazol-5-yl)carbamothioate Traditional Name: N-(2-tert-butyl-6-methoxy-3H-benzimidazol-5-yl)thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1)NC(=O)SN3CC[N+](CC3)(C)[O-])OC

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1)NC(=O)SN3CC[N+](CC3)(C)[O-])OC

InChI

InChI=1S/C18H27N5O3S/c1-18(2,3)16-19-12-10-14(15(26-5)11-13(12)20-16)21-17(24)27-22-6-8-23(4,25)9-7-22/h10-11H,6-9H2,1-5H3,(H,19,20)(H,21,24)