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

Systemtic Name: N-(2,3-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(2,3-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(=C4C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C

InChI

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