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

Systemtic Name: S-morpholin-4-yl N-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamothioate Openeye Name: S-morpholino 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-morpholinyl) ester IUPAC Name: S-morpholin-4-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-morpholino ester Formula: C21H30N4O2S2 MolecularWeight: 434.6185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=O)SN3CCOCC3)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=O)SN3CCOCC3)N4CCCCC4

InChI

InChI=1S/C21H30N4O2S2/c1-21(2,3)19-22-16-13-17(24-7-5-4-6-8-24)15(14-18(16)28-19)23-20(26)29-25-9-11-27-12-10-25/h13-14H,4-12H2,1-3H3,(H,23,26)