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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)acetyl]-N-homoveratryl-isonipecotamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C25H29N3O4S2/c1-31-20-8-7-17(15-21(20)32-2)9-12-26-24(30)18-10-13-28(14-11-18)23(29)16-33-25-27-19-5-3-4-6-22(19)34-25/h3-8,15,18H,9-14,16H2,1-2H3,(H,26,30)