4-[[3-[(4-carboxyphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[3-[(4-carboxyphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[3-[(4-carboxyphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[3-[[(4-carboxyanilino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[3-[(4-carboxyphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[3-[(4-carboxyphenyl)thiocarbamoylamino]phenyl]thiocarbamoylamino]benzoic acid Formula: C22H18N4O4S2 MolecularWeight: 466.53272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)C(=O)O)NC(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)C(=O)O)NC(=S)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H18N4O4S2/c27-19(28)13-4-8-15(9-5-13)23-21(31)25-17-2-1-3-18(12-17)26-22(32)24-16-10-6-14(7-11-16)20(29)30/h1-12H,(H,27,28)(H,29,30)(H2,23,25,31)(H2,24,26,32)