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

Systemtic Name: 1-(6-chloranyl-1H-benzimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(6-chloro-1H-benzimidazol-2-yl)-N-[[4-(methylthio)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(6-chloro-1H-benzimidazol-2-yl)-N-[4-(methylthio)benzyl]nipecotamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-28-17-7-4-14(5-8-17)12-23-20(27)15-3-2-10-26(13-15)21-24-18-9-6-16(22)11-19(18)25-21/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,23,27)(H,24,25)