N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(3-methylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(3-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(m-tolylmethylsulfanyl)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[(3-methylphenyl)methylthio]acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[(3-methylbenzyl)thio]acetamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H25N3OS2/c1-15-6-5-7-16(12-15)13-27-14-20(25)22-19(10-11-26-2)21-23-17-8-3-4-9-18(17)24-21/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1