3-(4-carbamothioylphenyl)-2-[2-[(4-carbamothioylphenyl)sulfonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-carbamothioylphenyl)-2-[2-[(4-carbamothioylphenyl)sulfonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-carbamothioylphenyl)-2-[[2-[(4-carbamothioylphenyl)sulfonylamino]acetyl]amino]propanoic acid CAS Name: 3-(4-carbamothioylphenyl)-2-[[2-[(4-carbamothioylphenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(4-carbamothioylphenyl)-2-[[2-[(4-carbamothioylphenyl)sulfonylamino]acetyl]amino]propanoic acid Traditional Name: 3-(4-thiocarbamoylphenyl)-2-[[2-[(4-thiocarbamoylphenyl)sulfonylamino]acetyl]amino]propionic acid Formula: C19H20N4O5S3 MolecularWeight: 480.5809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=S)N)C(=S)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=S)N)C(=S)N

InChI

InChI=1S/C19H20N4O5S3/c20-17(29)12-3-1-11(2-4-12)9-15(19(25)26)23-16(24)10-22-31(27,28)14-7-5-13(6-8-14)18(21)30/h1-8,15,22H,9-10H2,(H2,20,29)(H2,21,30)(H,23,24)(H,25,26)