1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-thiophen-3-yl-pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-thiophen-3-yl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(3-thienyl)pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(3-thiophenyl)-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide Traditional Name: 5-butyl-2-methyl-1-piperonyl-4-(3-thienyl)pyrrole-3-carboxamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CSC=C4

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CSC=C4

InChI

InChI=1S/C22H24N2O3S/c1-3-4-5-17-21(16-8-9-28-12-16)20(22(23)25)14(2)24(17)11-15-6-7-18-19(10-15)27-13-26-18/h6-10,12H,3-5,11,13H2,1-2H3,(H2,23,25)