3-[2-[[3-(aminocarbonylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[3-(aminocarbonylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-(3-pyridyl)-3-[2-[(3-ureidobenzoyl)amino]phenyl]sulfanyl-propanoic acid CAS Name: 3-[[2-[[[3-(carbamoylamino)phenyl]-oxomethyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[2-[[3-(carbamoylamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-(3-pyridyl)-3-[[2-[(3-ureidobenzoyl)amino]phenyl]thio]propionic acid Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)N)SC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)N)SC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H20N4O4S/c23-22(30)25-16-7-3-5-14(11-16)21(29)26-17-8-1-2-9-18(17)31-19(12-20(27)28)15-6-4-10-24-13-15/h1-11,13,19H,12H2,(H,26,29)(H,27,28)(H3,23,25,30)