2-[[4-[4-(carboxymethylcarbamothioylamino)phenyl]sulfonylphenyl]carbamothioylamino]ethanoic acid

Systemtic Name: 2-[[4-[4-(carboxymethylcarbamothioylamino)phenyl]sulfonylphenyl]carbamothioylamino]ethanoic acid Openeye Name: 2-[[4-[4-(carboxymethylcarbamothioylamino)phenyl]sulfonylphenyl]carbamothioylamino]acetic acid CAS Name: 2-[[[4-[4-[[(carboxymethylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylanilino]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[[4-[4-(carboxymethylcarbamothioylamino)phenyl]sulfonylphenyl]carbamothioylamino]acetic acid Traditional Name: 2-[[4-[4-(carboxymethylthiocarbamoylamino)phenyl]sulfonylphenyl]thiocarbamoylamino]acetic acid Formula: C18H18N4O6S3 MolecularWeight: 482.55372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S3/c23-15(24)9-19-17(29)21-11-1-5-13(6-2-11)31(27,28)14-7-3-12(4-8-14)22-18(30)20-10-16(25)26/h1-8H,9-10H2,(H,23,24)(H,25,26)(H2,19,21,29)(H2,20,22,30)