3-[[4-[4-(2-carboxyethylcarbamothioylamino)phenyl]sulfonylphenyl]carbamothioylamino]propanoic acid

Systemtic Name: 3-[[4-[4-(2-carboxyethylcarbamothioylamino)phenyl]sulfonylphenyl]carbamothioylamino]propanoic acid Openeye Name: 3-[[4-[4-(2-carboxyethylcarbamothioylamino)phenyl]sulfonylphenyl]carbamothioylamino]propanoic acid CAS Name: 3-[[[4-[4-[[(2-carboxyethylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylanilino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[[4-[4-(2-carboxyethylcarbamothioylamino)phenyl]sulfonylphenyl]carbamothioylamino]propanoic acid Traditional Name: 3-[[4-[4-(2-carboxyethylthiocarbamoylamino)phenyl]sulfonylphenyl]thiocarbamoylamino]propionic acid Formula: C20H22N4O6S3 MolecularWeight: 510.60688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC(=O)O

InChI

InChI=1S/C20H22N4O6S3/c25-17(26)9-11-21-19(31)23-13-1-5-15(6-2-13)33(29,30)16-7-3-14(4-8-16)24-20(32)22-12-10-18(27)28/h1-8H,9-12H2,(H,25,26)(H,27,28)(H2,21,23,31)(H2,22,24,32)