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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C23H27N3O2S/c1-4-28-18-9-10-19-21(13-18)29-23(25-19)26-11-5-6-17(14-26)22(27)24-20-12-15(2)7-8-16(20)3/h7-10,12-13,17H,4-6,11,14H2,1-3H3,(H,24,27)