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

Systemtic Name: ethyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C22H30N4O4S/c1-3-29-17-5-6-18-19(15-17)31-21(23-18)25-9-7-16(8-10-25)20(27)24-11-13-26(14-12-24)22(28)30-4-2/h5-6,15-16H,3-4,7-14H2,1-2H3