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

Systemtic Name: S-(4-ethanoylpiperazin-1-yl) N-[2-tert-butyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Openeye Name: S-(4-acetylpiperazin-1-yl) 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-[(4-acetyl-1-piperazinyl)] ester IUPAC Name: S-(4-acetylpiperazin-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-(4-acetylpiperazino) ester Formula: C23H34N6O2S2 MolecularWeight: 490.68506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)SC(=O)NC2=C(C=C3C(=C2)SC(=N3)C(C)(C)C)N4CCN(CC4)C

Isomeric SMILES

CC(=O)N1CCN(CC1)SC(=O)NC2=C(C=C3C(=C2)SC(=N3)C(C)(C)C)N4CCN(CC4)C

InChI

InChI=1S/C23H34N6O2S2/c1-16(30)27-10-12-29(13-11-27)33-22(31)25-17-15-20-18(24-21(32-20)23(2,3)4)14-19(17)28-8-6-26(5)7-9-28/h14-15H,6-13H2,1-5H3,(H,25,31)