1-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[1-(6-ethoxy-1,3-benzothiazol-2-yl)nipecotoyl]isonipecotamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C21H28N4O3S/c1-2-28-16-5-6-17-18(12-16)29-21(23-17)25-9-3-4-15(13-25)20(27)24-10-7-14(8-11-24)19(22)26/h5-6,12,14-15H,2-4,7-11,13H2,1H3,(H2,22,26)