2-(octylcarbamoylamino)-5-(phenylmethyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(octylcarbamoylamino)-5-(phenylmethyl)thiophene-3-carboxylic acid Openeye Name: 5-benzyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 2-[[(octylamino)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid IUPAC Name: 5-benzyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-benzyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H28N2O3S/c1-2-3-4-5-6-10-13-22-21(26)23-19-18(20(24)25)15-17(27-19)14-16-11-8-7-9-12-16/h7-9,11-12,15H,2-6,10,13-14H2,1H3,(H,24,25)(H2,22,23,26)