4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-propyl-thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-propyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-propyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-propyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-propylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[3-(piperonylcarbamoyl)-5-propyl-2-thienyl]carbamoyl]benzoic acid Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H22N2O6S/c1-2-3-17-11-18(22(28)25-12-14-4-9-19-20(10-14)32-13-31-19)23(33-17)26-21(27)15-5-7-16(8-6-15)24(29)30/h4-11H,2-3,12-13H2,1H3,(H,25,28)(H,26,27)(H,29,30)