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

Systemtic Name: 2-(hexadecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 2-(hexadecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 2-[[(hexadecylamino)-oxomethyl]amino]-4-methyl-5-[(octylamino)-oxomethyl]-3-thiophenecarboxylic acid IUPAC Name: 2-(hexadecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 2-(cetylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)-3-thenoic acid Formula: C32H57N3O4S MolecularWeight: 579.87768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H57N3O4S/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-25-34-32(39)35-30-27(31(37)38)26(3)28(40-30)29(36)33-24-22-20-11-9-7-5-2/h4-25H2,1-3H3,(H,33,36)(H,37,38)(H2,34,35,39)