3-[3-[[3-(carbamothioylamino)phenyl]sulfonylamino]phenyl]-3-phenyl-propanoic acid

Systemtic Name: 3-[3-[[3-(carbamothioylamino)phenyl]sulfonylamino]phenyl]-3-phenyl-propanoic acid Openeye Name: 3-[3-[[3-(carbamothioylamino)phenyl]sulfonylamino]phenyl]-3-phenyl-propanoic acid CAS Name: 3-[3-[[3-(carbamothioylamino)phenyl]sulfonylamino]phenyl]-3-phenylpropanoic acid IUPAC Name: 3-[3-[[3-(carbamothioylamino)phenyl]sulfonylamino]phenyl]-3-phenylpropanoic acid Traditional Name: 3-phenyl-3-[3-[(3-thioureidophenyl)sulfonylamino]phenyl]propionic acid Formula: C22H21N3O4S2 MolecularWeight: 455.54984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=S)N

InChI

InChI=1S/C22H21N3O4S2/c23-22(30)24-17-9-5-11-19(13-17)31(28,29)25-18-10-4-8-16(12-18)20(14-21(26)27)15-6-2-1-3-7-15/h1-13,20,25H,14H2,(H,26,27)(H3,23,24,30)