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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]pentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpentanamide Traditional Name: 5-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]-N-piperonyl-valeramide Formula: C32H35N3O3S MolecularWeight: 541.7036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H35N3O3S/c1-2-3-19-35-31(26-14-8-5-9-15-26)30(25-12-6-4-7-13-25)34-32(35)39-20-11-10-16-29(36)33-22-24-17-18-27-28(21-24)38-23-37-27/h4-9,12-15,17-18,21H,2-3,10-11,16,19-20,22-23H2,1H3,(H,33,36)