4-(4-bromophenyl)-3-(butan-2-ylcarbamoylamino)thiophene-2-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-3-(butan-2-ylcarbamoylamino)thiophene-2-carboxylic acid Openeye Name: 4-(4-bromophenyl)-3-(sec-butylcarbamoylamino)thiophene-2-carboxylic acid CAS Name: 4-(4-bromophenyl)-3-[[(butan-2-ylamino)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-3-(butan-2-ylcarbamoylamino)thiophene-2-carboxylic acid Traditional Name: 4-(4-bromophenyl)-3-(sec-butylcarbamoylamino)-2-thenoic acid Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC1=C(SC=C1C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)NC1=C(SC=C1C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H17BrN2O3S/c1-3-9(2)18-16(22)19-13-12(8-23-14(13)15(20)21)10-4-6-11(17)7-5-10/h4-9H,3H2,1-2H3,(H,20,21)(H2,18,19,22)