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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O6S/c1-3-4-18-12-19(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)31-2/h5-12H,3-4,13-14H2,1-2H3,(H,26,29)(H,27,28)