N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]-N-piperonyl-propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H23N3O3S/c1-14-4-6-18(10-15(14)2)25-9-8-23-22(25)29-16(3)21(26)24-12-17-5-7-19-20(11-17)28-13-27-19/h4-11,16H,12-13H2,1-3H3,(H,24,26)