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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-5-(4-methyl-1-piperidyl)-1,3-benzothiazol-6-yl]carbamothioate CAS Name: N-[2-tert-butyl-5-(4-methyl-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-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Traditional Name: N-[2-tert-butyl-5-(4-methylpiperidino)-1,3-benzothiazol-6-yl]thiocarbamic acid S-(4-methylpiperazino) ester Formula: C23H35N5OS2 MolecularWeight: 461.6869

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)NC(=O)SN4CCN(CC4)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)NC(=O)SN4CCN(CC4)C

InChI

InChI=1S/C23H35N5OS2/c1-16-6-8-27(9-7-16)19-14-18-20(30-21(24-18)23(2,3)4)15-17(19)25-22(29)31-28-12-10-26(5)11-13-28/h14-16H,6-13H2,1-5H3,(H,25,29)