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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N(CCCCCC)CCCCCC)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N(CCCCCC)CCCCCC)C)C(=O)O

InChI

InChI=1S/C28H49N3O4S/c1-5-8-11-14-15-16-19-29-28(35)30-25-23(27(33)34)22(4)24(36-25)26(32)31(20-17-12-9-6-2)21-18-13-10-7-3/h5-21H2,1-4H3,(H,33,34)(H2,29,30,35)