N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[(1,4,5-triphenyl-2-imidazolyl)thio]butyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(1,4,5-triphenylimidazol-2-yl)thio]butyl]-piperonylamide Formula: C33H29N3O3S MolecularWeight: 547.66666

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCCCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCCCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H29N3O3S/c37-32(26-18-19-28-29(22-26)39-23-38-28)34-20-10-11-21-40-33-35-30(24-12-4-1-5-13-24)31(25-14-6-2-7-15-25)36(33)27-16-8-3-9-17-27/h1-9,12-19,22H,10-11,20-21,23H2,(H,34,37)