[3-[(5-bromanyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]phenyl]carbamic acid

Systemtic Name: [3-[(5-bromanyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]phenyl]carbamic acid Openeye Name: [3-[(5-bromo-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]phenyl]carbamic acid CAS Name: [3-[[[[(5-bromo-2,4-dimethoxyphenyl)thio]amino]-oxomethyl]amino]phenyl]carbamic acid IUPAC Name: [3-[(5-bromo-2,4-dimethoxyphenyl)sulfanylcarbamoylamino]phenyl]carbamic acid Traditional Name: [3-[[(5-bromo-2,4-dimethoxy-phenyl)thio]carbamoylamino]phenyl]carbamic acid Formula: C16H16BrN3O5S MolecularWeight: 442.28434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1SNC(=O)NC2=CC(=CC=C2)NC(=O)O)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1SNC(=O)NC2=CC(=CC=C2)NC(=O)O)Br)OC

InChI

InChI=1S/C16H16BrN3O5S/c1-24-12-8-13(25-2)14(7-11(12)17)26-20-15(21)18-9-4-3-5-10(6-9)19-16(22)23/h3-8,19H,1-2H3,(H,22,23)(H2,18,20,21)