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

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-butyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-butyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-butyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-butylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-butyl-3-(piperonylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid Formula: C25H24N2O6S MolecularWeight: 480.53286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H24N2O6S/c1-2-3-4-18-12-19(23(29)26-13-15-5-10-20-21(11-15)33-14-32-20)24(34-18)27-22(28)16-6-8-17(9-7-16)25(30)31/h5-12H,2-4,13-14H2,1H3,(H,26,29)(H,27,28)(H,30,31)