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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=C1SNC(=O)NC2=CC=C(C=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)18-9-3-5-10(6-4-9)19-16(22)23/h3-8,19H,1-2H3,(H,22,23)(H2,18,20,21)