N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-homoveratryl-isonipecotamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C25H31N3O3S/c1-16-13-17(2)23-22(14-16)32-25(27-23)28-11-8-19(9-12-28)24(29)26-10-7-18-5-6-20(30-3)21(15-18)31-4/h5-6,13-15,19H,7-12H2,1-4H3,(H,26,29)