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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C)OCC

InChI

InChI=1S/C27H35N3O3S/c1-5-32-22-8-7-20(17-23(22)33-6-2)9-12-28-26(31)21-10-13-30(14-11-21)27-29-25-19(4)15-18(3)16-24(25)34-27/h7-8,15-17,21H,5-6,9-14H2,1-4H3,(H,28,31)