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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) 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-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-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-methylpiperazino) 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)SN3CCN(CC3)C)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=O)SN3CCN(CC3)C)N4CCCCC4

InChI

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