N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]sulfanylbutyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[1-ethyl-4,5-bis(4-methylphenyl)-2-imidazolyl]thio]butyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]thio]butyl]-piperonylamide Formula: C31H33N3O3S MolecularWeight: 527.67702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCN1C(=C(N=C1SCCCCNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H33N3O3S/c1-4-34-29(24-13-9-22(3)10-14-24)28(23-11-7-21(2)8-12-23)33-31(34)38-18-6-5-17-32-30(35)25-15-16-26-27(19-25)37-20-36-26/h7-16,19H,4-6,17-18,20H2,1-3H3,(H,32,35)