2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C18H18N4O5S MolecularWeight: 402.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C18H18N4O5S/c1-10(28-18-20-13-6-5-12(26-2)9-14(13)21-18)17(23)19-15-8-11(22(24)25)4-7-16(15)27-3/h4-10H,1-3H3,(H,19,23)(H,20,21)