ethyl 4-[[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-methyl-1-piperidyl)-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(4-methyl-1-piperidinyl)-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-methylpiperidino)-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4CCC(CC4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4CCC(CC4)C

InChI

InChI=1S/C21H28N4O3S/c1-3-28-21(27)25-12-10-23(11-13-25)19(26)16-4-5-17-18(14-16)29-20(22-17)24-8-6-15(2)7-9-24/h4-5,14-15H,3,6-13H2,1-2H3