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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)N)C(=O)NC2=CC(=CC=C2)SC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)N)C(=O)NC2=CC(=CC=C2)SC(CC(=O)O)C3=CN=CC=C3

InChI

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