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

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-phenylbutylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-phenylbutylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-(4-phenylbutylamino)methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-phenylbutylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-phenylbutylcarbamoyl)-3-thenoic acid Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCCC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCCC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C26H37N3O4S/c1-3-4-5-6-7-12-18-28-26(33)29-24-21(25(31)32)19(2)22(34-24)23(30)27-17-13-11-16-20-14-9-8-10-15-20/h8-10,14-15H,3-7,11-13,16-18H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)