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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C27H35N3O3S MolecularWeight: 481.6501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NC4=C(C=C(C=C4S3)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NC4=C(C=C(C=C4S3)C)C)OCC

InChI

InChI=1S/C27H35N3O3S/c1-5-32-22-10-9-20(16-23(22)33-6-2)11-12-28-26(31)21-8-7-13-30(17-21)27-29-25-19(4)14-18(3)15-24(25)34-27/h9-10,14-16,21H,5-8,11-13,17H2,1-4H3,(H,28,31)