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

Systemtic Name: S-(4-ethanoylpiperazin-1-yl) N-[2-tert-butyl-5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Openeye Name: S-(4-acetylpiperazin-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-acetyl-1-piperazinyl)] ester IUPAC Name: S-(4-acetylpiperazin-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-acetylpiperazino) ester Formula: C24H35N5O2S2 MolecularWeight: 489.697

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H35N5O2S2/c1-16-6-8-28(9-7-16)20-14-19-21(32-22(25-19)24(3,4)5)15-18(20)26-23(31)33-29-12-10-27(11-13-29)17(2)30/h14-16H,6-13H2,1-5H3,(H,26,31)