3-[[2-methoxy-5-(pyridin-3-ylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzoic acid

Systemtic Name: 3-[[2-methoxy-5-(pyridin-3-ylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzoic acid Openeye Name: 3-[[2-methoxy-5-(3-pyridylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzoic acid CAS Name: 3-[[[[[2-methoxy-5-[oxo-(3-pyridinylamino)methyl]phenyl]thio]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-methoxy-5-(pyridin-3-ylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzoic acid Traditional Name: 3-[[[2-methoxy-5-(3-pyridylcarbamoyl)phenyl]thio]carbamoylamino]benzoic acid Formula: C21H18N4O5S MolecularWeight: 438.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)SNC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)SNC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H18N4O5S/c1-30-17-8-7-13(19(26)23-16-6-3-9-22-12-16)11-18(17)31-25-21(29)24-15-5-2-4-14(10-15)20(27)28/h2-12H,1H3,(H,23,26)(H,27,28)(H2,24,25,29)