4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[1-(4-mesylphenyl)ethyl]benzamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H23N3O3S2/c1-16(18-11-13-20(14-12-18)32(2,29)30)25-23(28)19-9-7-17(8-10-19)15-31-24-26-21-5-3-4-6-22(21)27-24/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)