4-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbamothioylamino]benzoic acid Openeye Name: 4-[(1,3-dioxoisoindolin-2-yl)carbamothioylamino]benzoic acid CAS Name: 4-[[[(1,3-dioxo-2-isoindolyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(1,3-dioxoisoindol-2-yl)carbamothioylamino]benzoic acid Traditional Name: 4-(phthalimidothiocarbamoylamino)benzoic acid Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=S)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H11N3O4S/c20-13-11-3-1-2-4-12(11)14(21)19(13)18-16(24)17-10-7-5-9(6-8-10)15(22)23/h1-8H,(H,22,23)(H2,17,18,24)