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

Systemtic Name: 4-methyl-5-(nonan-5-ylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(1-butylpentylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-5-[(nonan-5-ylamino)-oxomethyl]-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-(nonan-5-ylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(1-butylpentylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C25H43N3O4S MolecularWeight: 481.69162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NC(CCCC)CCCC)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NC(CCCC)CCCC)C)C(=O)O

InChI

InChI=1S/C25H43N3O4S/c1-5-8-11-12-13-14-17-26-25(32)28-23-20(24(30)31)18(4)21(33-23)22(29)27-19(15-9-6-2)16-10-7-3/h19H,5-17H2,1-4H3,(H,27,29)(H,30,31)(H2,26,28,32)