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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1NC(=O)SN2CCN(CC2)C)C3=C4C(=CC=C3)SC(=N4)C(C)(C)C

Isomeric SMILES

CC1CCCN(C1NC(=O)SN2CCN(CC2)C)C3=C4C(=CC=C3)SC(=N4)C(C)(C)C

InChI

InChI=1S/C23H35N5OS2/c1-16-8-7-11-28(20(16)25-22(29)31-27-14-12-26(5)13-15-27)17-9-6-10-18-19(17)24-21(30-18)23(2,3)4/h6,9-10,16,20H,7-8,11-15H2,1-5H3,(H,25,29)