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

Systemtic Name: S-piperazin-1-yl N-[2-tert-butyl-5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Openeye Name: S-piperazin-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-(1-piperazinyl) ester IUPAC Name: S-piperazin-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-piperazino ester Formula: C22H33N5OS2 MolecularWeight: 447.66032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)NC(=O)SN4CCNCC4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)NC(=O)SN4CCNCC4

InChI

InChI=1S/C22H33N5OS2/c1-15-5-9-26(10-6-15)18-13-17-19(29-20(24-17)22(2,3)4)14-16(18)25-21(28)30-27-11-7-23-8-12-27/h13-15,23H,5-12H2,1-4H3,(H,25,28)