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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C25H31N3O3S/c1-16-12-17(2)23-22(13-16)32-25(27-23)28-11-5-6-19(15-28)24(29)26-10-9-18-7-8-20(30-3)21(14-18)31-4/h7-8,12-14,19H,5-6,9-11,15H2,1-4H3,(H,26,29)