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

Systemtic Name: S-(1-methylpiperazin-1-ium-1-yl) N-(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)carbamothioate Openeye Name: S-(1-methylpiperazin-1-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-[(1-methyl-1-piperazin-1-iumyl)] ester IUPAC Name: S-(1-methylpiperazin-1-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-(1-methylpiperazin-1-ium-1-yl) ester Formula: C18H27N4OS2+ MolecularWeight: 379.56318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1NC(=O)S[N+]3(CCNCC3)C)SC(=N2)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1NC(=O)S[N+]3(CCNCC3)C)SC(=N2)C(C)(C)C

InChI

InChI=1S/C18H26N4OS2/c1-12-10-14-15(24-16(20-14)18(2,3)4)11-13(12)21-17(23)25-22(5)8-6-19-7-9-22/h10-11,19H,6-9H2,1-5H3/p+1