N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-piperonylamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3S/c1-2-3-18-33-28(23-13-8-5-9-14-23)27(22-11-6-4-7-12-22)32-30(33)37-19-10-17-31-29(34)24-15-16-25-26(20-24)36-21-35-25/h4-9,11-16,20H,2-3,10,17-19,21H2,1H3,(H,31,34)