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

Systemtic Name: S-piperidin-1-yl N-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamothioate Openeye Name: S-(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-(1-piperidinyl) ester IUPAC Name: S-piperidin-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-piperidino ester Formula: C22H32N4OS2 MolecularWeight: 432.64568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=O)SN3CCCCC3)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=O)SN3CCCCC3)N4CCCCC4

InChI

InChI=1S/C22H32N4OS2/c1-22(2,3)20-23-17-14-18(25-10-6-4-7-11-25)16(15-19(17)28-20)24-21(27)29-26-12-8-5-9-13-26/h14-15H,4-13H2,1-3H3,(H,24,27)