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

Systemtic Name: S-piperidin-1-yl N-[2-tert-butyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Openeye Name: S-(1-piperidyl) N-[2-tert-butyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate CAS Name: N-[2-tert-butyl-5-(4-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl]carbamothioic acid S-(1-piperidinyl) ester IUPAC Name: S-piperidin-1-yl N-[2-tert-butyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Traditional Name: N-[2-tert-butyl-5-(4-methylpiperazino)-1,3-benzothiazol-6-yl]thiocarbamic acid S-piperidino ester Formula: C22H33N5OS2 MolecularWeight: 447.66032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=O)SN3CCCCC3)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=O)SN3CCCCC3)N4CCN(CC4)C

InChI

InChI=1S/C22H33N5OS2/c1-22(2,3)20-23-17-14-18(26-12-10-25(4)11-13-26)16(15-19(17)29-20)24-21(28)30-27-8-6-5-7-9-27/h14-15H,5-13H2,1-4H3,(H,24,28)