N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanyl-propanamide

Systemtic Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanyl-propanamide Openeye Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanyl-propanamide CAS Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-[(4-chlorophenyl)thio]propanamide IUPAC Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide Traditional Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-[(4-chlorophenyl)thio]propionamide Formula: C23H20ClN3OS MolecularWeight: 421.9424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC3=C(C=C2)N=CN3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC3=C(C=C2)N=CN3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN3OS/c1-15(29-19-10-8-18(24)9-11-19)23(28)27-22(16-5-3-2-4-6-16)17-7-12-20-21(13-17)26-14-25-20/h2-15,22H,1H3,(H,25,26)(H,27,28)