N-(3,5-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(3,5-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C23H27N3O2S/c1-4-28-19-5-6-20-21(14-19)29-23(25-20)26-9-7-17(8-10-26)22(27)24-18-12-15(2)11-16(3)13-18/h5-6,11-14,17H,4,7-10H2,1-3H3,(H,24,27)