4-(4-bromophenyl)-3-(cyclopropylmethylcarbamoylamino)thiophene-2-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-3-(cyclopropylmethylcarbamoylamino)thiophene-2-carboxylic acid Openeye Name: 4-(4-bromophenyl)-3-(cyclopropylmethylcarbamoylamino)thiophene-2-carboxylic acid CAS Name: 4-(4-bromophenyl)-3-[[(cyclopropylmethylamino)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-3-(cyclopropylmethylcarbamoylamino)thiophene-2-carboxylic acid Traditional Name: 4-(4-bromophenyl)-3-(cyclopropylmethylcarbamoylamino)-2-thenoic acid Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)NC2=C(SC=C2C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CC1CNC(=O)NC2=C(SC=C2C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H15BrN2O3S/c17-11-5-3-10(4-6-11)12-8-23-14(15(20)21)13(12)19-16(22)18-7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H,20,21)(H2,18,19,22)