2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C24H21ClN4O4S MolecularWeight: 496.96594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H21ClN4O4S/c1-2-33-18-9-10-19(22(13-18)29(31)32)26-23(30)15-34-24-27-20-12-17(25)8-11-21(20)28(24)14-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,26,30)