1-(phenylcarbonyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide

Systemtic Name: 1-(phenylcarbonyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide Openeye Name: 1-benzoyl-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]piperidine-4-carboxamide CAS Name: 1-benzoyl-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-benzoyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide Traditional Name: 1-benzoyl-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]isonipecotamide Formula: C26H25N3O2S3 MolecularWeight: 507.6906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S3/c30-24(19-8-12-29(13-9-19)25(31)20-4-2-1-3-5-20)27-21-6-7-22-23(16-21)34-26(28-22)33-15-11-18-10-14-32-17-18/h1-7,10,14,16-17,19H,8-9,11-13,15H2,(H,27,30)