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

Systemtic Name: 4-(4-bromophenyl)-3-(phenethylcarbamoylamino)thiophene-2-carboxylic acid Openeye Name: 4-(4-bromophenyl)-3-(phenethylcarbamoylamino)thiophene-2-carboxylic acid CAS Name: 4-(4-bromophenyl)-3-[[oxo-(phenethylamino)methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-3-(phenethylcarbamoylamino)thiophene-2-carboxylic acid Traditional Name: 4-(4-bromophenyl)-3-(phenethylcarbamoylamino)-2-thenoic acid Formula: C20H17BrN2O3S MolecularWeight: 445.32958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC2=C(SC=C2C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC2=C(SC=C2C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H17BrN2O3S/c21-15-8-6-14(7-9-15)16-12-27-18(19(24)25)17(16)23-20(26)22-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,24,25)(H2,22,23,26)