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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]pentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpentanamide Traditional Name: 5-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]-N-piperonyl-valeramide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=C(N=C1SCCCCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

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