N-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutanamide Traditional Name: 4-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]-N-piperonyl-butyramide Formula: C30H31N3O3S MolecularWeight: 513.65044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCN1C(=C(N=C1SCCCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3S/c1-2-17-33-29(24-12-7-4-8-13-24)28(23-10-5-3-6-11-23)32-30(33)37-18-9-14-27(34)31-20-22-15-16-25-26(19-22)36-21-35-25/h3-8,10-13,15-16,19H,2,9,14,17-18,20-21H2,1H3,(H,31,34)