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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

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