3-[(2-bromophenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[(2-bromophenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(2-bromobenzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(2-bromobenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(2-bromobenzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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=CC=CC=C2Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C16H13BrN2O4S/c1-23-13-7-6-9(15(21)22)8-12(13)18-16(24)19-14(20)10-4-2-3-5-11(10)17/h2-8H,1H3,(H,21,22)(H2,18,19,20,24)