3-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C16H12BrClN2O4S MolecularWeight: 443.69948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C16H12BrClN2O4S/c1-24-13-5-2-8(15(22)23)6-12(13)19-16(25)20-14(21)10-7-9(17)3-4-11(10)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)