ethyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C

InChI

InChI=1S/C22H30N4O3S/c1-4-29-22(28)26-11-9-24(10-12-26)20(27)17-5-7-25(8-6-17)21-23-19-16(3)13-15(2)14-18(19)30-21/h13-14,17H,4-12H2,1-3H3