2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]ethanone Formula: C21H22ClN3OS MolecularWeight: 399.93688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3OS/c22-17-6-7-18-19(13-17)24-21(23-18)27-14-20(26)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,24)