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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]propanamide Traditional Name: 2-[(4-benzyl-5-methyl-1H-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(N=C(N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-14-18(10-16-6-4-3-5-7-16)25-22(24-14)29-15(2)21(26)23-12-17-8-9-19-20(11-17)28-13-27-19/h3-9,11,15H,10,12-13H2,1-2H3,(H,23,26)(H,24,25)