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

Systemtic Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-butyl-thiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-butyl-2-thienyl]carbamoyl]benzoate CAS Name: 4-[[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-butyl-2-thiophenyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-butylthiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[5-butyl-3-(piperonylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid methyl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O6S/c1-3-4-5-19-13-20(24(30)27-14-16-6-11-21-22(12-16)34-15-33-21)25(35-19)28-23(29)17-7-9-18(10-8-17)26(31)32-2/h6-13H,3-5,14-15H2,1-2H3,(H,27,30)(H,28,29)