2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[3-(2-methyl-1-benzimidazolyl)propyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCCNC(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCCNC(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N4OS/c1-16-24-19-5-2-3-6-20(19)25(16)12-4-11-23-21(26)15-27-14-18-9-7-17(13-22)8-10-18/h2-3,5-10H,4,11-12,14-15H2,1H3,(H,23,26)