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

Systemtic Name: 5-(2,2-dimethylpropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(2,2-dimethylpropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[(2,2-dimethylpropylamino)-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(2,2-dimethylpropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 4-methyl-5-(neopentylcarbamoyl)-2-(octylcarbamoylamino)-3-thenoic acid Formula: C21H35N3O4S MolecularWeight: 425.5853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC(C)(C)C)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC(C)(C)C)C)C(=O)O

InChI

InChI=1S/C21H35N3O4S/c1-6-7-8-9-10-11-12-22-20(28)24-18-15(19(26)27)14(2)16(29-18)17(25)23-13-21(3,4)5/h6-13H2,1-5H3,(H,23,25)(H,26,27)(H2,22,24,28)