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

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)carbamothioate CAS Name: N-(2-tert-butyl-5-methyl-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-methyl-1,3-benzothiazol-6-yl)carbamothioate Traditional Name: N-(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C18H26N4O2S2 MolecularWeight: 394.55464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1NC(=O)SN3CC[N+](CC3)(C)[O-])SC(=N2)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1NC(=O)SN3CC[N+](CC3)(C)[O-])SC(=N2)C(C)(C)C

InChI

InChI=1S/C18H26N4O2S2/c1-12-10-14-15(25-16(19-14)18(2,3)4)11-13(12)20-17(23)26-21-6-8-22(5,24)9-7-21/h10-11H,6-9H2,1-5H3,(H,20,23)