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

Systemtic Name: 1-(6-bromanyl-1,3-benzothiazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-[4-(methylthio)phenyl]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-[4-(methylthio)phenyl]ethyl]isonipecotamide Formula: C22H24BrN3OS2 MolecularWeight: 490.47946

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3OS2/c1-28-18-5-2-15(3-6-18)8-11-24-21(27)16-9-12-26(13-10-16)22-25-19-7-4-17(23)14-20(19)29-22/h2-7,14,16H,8-13H2,1H3,(H,24,27)