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

Systemtic Name: 1-(6-bromanyl-1H-benzimidazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-(6-bromo-1H-benzimidazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-(6-bromo-1H-benzimidazol-2-yl)-N-[2-[4-(methylthio)phenyl]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-bromo-1H-benzimidazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-(6-bromo-1H-benzimidazol-2-yl)-N-[2-[4-(methylthio)phenyl]ethyl]nipecotamide Formula: C22H25BrN4OS MolecularWeight: 473.4291

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NC4=C(N3)C=C(C=C4)Br

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NC4=C(N3)C=C(C=C4)Br

InChI

InChI=1S/C22H25BrN4OS/c1-29-18-7-4-15(5-8-18)10-11-24-21(28)16-3-2-12-27(14-16)22-25-19-9-6-17(23)13-20(19)26-22/h4-9,13,16H,2-3,10-12,14H2,1H3,(H,24,28)(H,25,26)