4-methyl-2-(octylcarbamoylamino)-5-(pyridin-4-ylmethylcarbamoyl)thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-(pyridin-4-ylmethylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-pyridylmethylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-(pyridin-4-ylmethylamino)methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-(pyridin-4-ylmethylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-pyridylmethylcarbamoyl)-3-thenoic acid Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC=NC=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC=NC=C2)C)C(=O)O

InChI

InChI=1S/C22H30N4O4S/c1-3-4-5-6-7-8-11-24-22(30)26-20-17(21(28)29)15(2)18(31-20)19(27)25-14-16-9-12-23-13-10-16/h9-10,12-13H,3-8,11,14H2,1-2H3,(H,25,27)(H,28,29)(H2,24,26,30)