1-(4,6-dimethylpyrimidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC(=CC(=N4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC(=CC(=N4)C)C

InChI

InChI=1S/C21H25N5O2S/c1-4-28-16-5-6-17-18(12-16)29-21(24-17)25-19(27)15-7-9-26(10-8-15)20-22-13(2)11-14(3)23-20/h5-6,11-12,15H,4,7-10H2,1-3H3,(H,24,25,27)