ethyl 4-[2-(1,3-benzothiazol-2-yl)cyclohexyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzothiazol-2-yl)cyclohexyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzothiazol-2-yl)cyclohexanecarbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(1,3-benzothiazol-2-yl)cyclohexyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzothiazol-2-yl)cyclohexanecarbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)cyclohexanecarbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H27N3O3S/c1-2-27-21(26)24-13-11-23(12-14-24)20(25)16-8-4-3-7-15(16)19-22-17-9-5-6-10-18(17)28-19/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3