3-[2-(4-bromophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: 3-[2-(4-bromophenyl)sulfanylethanoylamino]benzoate Openeye Name: 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-bromophenyl)thio]acetyl]amino]benzoate Formula: C15H11BrNO3S- MolecularWeight: 365.22174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C15H12BrNO3S/c16-11-4-6-13(7-5-11)21-9-14(18)17-12-3-1-2-10(8-12)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)/p-1