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

Systemtic Name: 4-methyl-5-(octylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 4-methyl-5-(octylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-5-[(octylamino)-oxomethyl]-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-(octylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 4-methyl-5-(octylcarbamoyl)-2-(octylcarbamoylamino)-3-thenoic acid Formula: C24H41N3O4S MolecularWeight: 467.66504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=C(C(=C(S1)NC(=O)NCCCCCCCC)C(=O)O)C

Isomeric SMILES

CCCCCCCCNC(=O)C1=C(C(=C(S1)NC(=O)NCCCCCCCC)C(=O)O)C

InChI

InChI=1S/C24H41N3O4S/c1-4-6-8-10-12-14-16-25-21(28)20-18(3)19(23(29)30)22(32-20)27-24(31)26-17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H,25,28)(H,29,30)(H2,26,27,31)