(2-aminophenyl) 3-[2-[2-[(phenylmethyl)carbamothioylamino]phenyl]sulfonylphenyl]propanoate

Systemtic Name: (2-aminophenyl) 3-[2-[2-[(phenylmethyl)carbamothioylamino]phenyl]sulfonylphenyl]propanoate Openeye Name: (2-aminophenyl) 3-[2-[2-(benzylcarbamothioylamino)phenyl]sulfonylphenyl]propanoate CAS Name: 3-[2-[2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]sulfonylphenyl]propanoic acid (2-aminophenyl) ester IUPAC Name: (2-aminophenyl) 3-[2-[2-(benzylcarbamothioylamino)phenyl]sulfonylphenyl]propanoate Traditional Name: 3-[2-[2-(benzylthiocarbamoylamino)phenyl]sulfonylphenyl]propionic acid (2-aminophenyl) ester Formula: C29H27N3O4S2 MolecularWeight: 545.67238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3CCC(=O)OC4=CC=CC=C4N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3CCC(=O)OC4=CC=CC=C4N

InChI

InChI=1S/C29H27N3O4S2/c30-23-13-5-7-15-25(23)36-28(33)19-18-22-12-4-8-16-26(22)38(34,35)27-17-9-6-14-24(27)32-29(37)31-20-21-10-2-1-3-11-21/h1-17H,18-20,30H2,(H2,31,32,37)