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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-homoveratryl-nipecotamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H31N3O4S/c1-4-32-19-8-9-20-23(15-19)33-25(27-20)28-13-5-6-18(16-28)24(29)26-12-11-17-7-10-21(30-2)22(14-17)31-3/h7-10,14-15,18H,4-6,11-13,16H2,1-3H3,(H,26,29)