S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-[2-tert-butyl-5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-[2-tert-butyl-5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-[2-tert-butyl-5-(4-methyl-1-piperidyl)-1,3-benzothiazol-6-yl]carbamothioate CAS Name: N-[2-tert-butyl-5-(4-methyl-1-piperidinyl)-1,3-benzothiazol-6-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-5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Traditional Name: N-[2-tert-butyl-5-(4-methylpiperidino)-1,3-benzothiazol-6-yl]thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C23H35N5O2S2 MolecularWeight: 477.6863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)NC(=O)SN4CC[N+](CC4)(C)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)NC(=O)SN4CC[N+](CC4)(C)[O-]

InChI

InChI=1S/C23H35N5O2S2/c1-16-6-8-26(9-7-16)19-14-18-20(31-21(24-18)23(2,3)4)15-17(19)25-22(29)32-27-10-12-28(5,30)13-11-27/h14-16H,6-13H2,1-5H3,(H,25,29)