3-[4-[[3-(aminocarbonylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[4-[[3-(aminocarbonylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-(3-pyridyl)-3-[4-[(3-ureidobenzoyl)amino]phenyl]sulfanyl-propanoic acid CAS Name: 3-[[4-[[[3-(carbamoylamino)phenyl]-oxomethyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-[[3-(carbamoylamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-(3-pyridyl)-3-[[4-[(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=C(C=C2)SC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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