S-(4-methylpiperidin-1-yl) N-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamothioate

Systemtic Name: S-(4-methylpiperidin-1-yl) N-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamothioate Openeye Name: S-[(4-methyl-1-piperidyl)] N-[2-tert-butyl-5-(1-piperidyl)-1,3-benzothiazol-6-yl]carbamothioate CAS Name: N-[2-tert-butyl-5-(1-piperidinyl)-1,3-benzothiazol-6-yl]carbamothioic acid S-[(4-methyl-1-piperidinyl)] ester IUPAC Name: S-(4-methylpiperidin-1-yl) N-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamothioate Traditional Name: N-(2-tert-butyl-5-piperidino-1,3-benzothiazol-6-yl)thiocarbamic acid S-(4-methylpiperidino) ester Formula: C23H34N4OS2 MolecularWeight: 446.67226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)SC(=O)NC2=C(C=C3C(=C2)SC(=N3)C(C)(C)C)N4CCCCC4

Isomeric SMILES

CC1CCN(CC1)SC(=O)NC2=C(C=C3C(=C2)SC(=N3)C(C)(C)C)N4CCCCC4

InChI

InChI=1S/C23H34N4OS2/c1-16-8-12-27(13-9-16)30-22(28)25-17-15-20-18(24-21(29-20)23(2,3)4)14-19(17)26-10-6-5-7-11-26/h14-16H,5-13H2,1-4H3,(H,25,28)