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

Systemtic Name: 2-(dodecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 2-(dodecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 2-[[(dodecylamino)-oxomethyl]amino]-4-methyl-5-[(octylamino)-oxomethyl]-3-thiophenecarboxylic acid IUPAC Name: 2-(dodecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 2-(laurylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)-3-thenoic acid Formula: C28H49N3O4S MolecularWeight: 523.77136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCCCCCC)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCCCCCC)C)C(=O)O

InChI

InChI=1S/C28H49N3O4S/c1-4-6-8-10-12-13-14-15-17-19-21-30-28(35)31-26-23(27(33)34)22(3)24(36-26)25(32)29-20-18-16-11-9-7-5-2/h4-21H2,1-3H3,(H,29,32)(H,33,34)(H2,30,31,35)