5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-(piperonylcarbamoyl)-3-thenoic acid Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC3=C(C=C2)OCO3)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC3=C(C=C2)OCO3)C)C(=O)O

InChI

InChI=1S/C24H31N3O6S/c1-3-4-5-6-7-8-11-25-24(31)27-22-19(23(29)30)15(2)20(34-22)21(28)26-13-16-9-10-17-18(12-16)33-14-32-17/h9-10,12H,3-8,11,13-14H2,1-2H3,(H,26,28)(H,29,30)(H2,25,27,31)