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

Systemtic Name: 3-[3-[[3-(aminocarbonylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-phenyl-propanoic acid Openeye Name: 3-phenyl-3-[3-[(3-ureidobenzoyl)amino]phenyl]sulfanyl-propanoic acid CAS Name: 3-[[3-[[[3-(carbamoylamino)phenyl]-oxomethyl]amino]phenyl]thio]-3-phenylpropanoic acid IUPAC Name: 3-[3-[[3-(carbamoylamino)benzoyl]amino]phenyl]sulfanyl-3-phenylpropanoic acid Traditional Name: 3-phenyl-3-[[3-[(3-ureidobenzoyl)amino]phenyl]thio]propionic acid Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C23H21N3O4S/c24-23(30)26-17-9-4-8-16(12-17)22(29)25-18-10-5-11-19(13-18)31-20(14-21(27)28)15-6-2-1-3-7-15/h1-13,20H,14H2,(H,25,29)(H,27,28)(H3,24,26,30)