N-[(3,4-dimethoxyphenyl)methyl]-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-veratryl-propionamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O4S/c1-5-28-15-7-8-16-17(11-15)24-21(23-16)29-13(2)20(25)22-12-14-6-9-18(26-3)19(10-14)27-4/h6-11,13H,5,12H2,1-4H3,(H,22,25)(H,23,24)