2-[3-[(2-chlorophenyl)carbamothioylamino]-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoic acid

Systemtic Name: 2-[3-[(2-chlorophenyl)carbamothioylamino]-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoic acid Openeye Name: 2-[3-[(2-chlorophenyl)carbamothioylamino]-4-oxo-thiazolidin-2-yl]benzoic acid CAS Name: 2-[3-[[(2-chloroanilino)-sulfanylidenemethyl]amino]-4-oxo-2-thiazolidinyl]benzoic acid IUPAC Name: 2-[3-[(2-chlorophenyl)carbamothioylamino]-4-oxo-1,3-thiazolidin-2-yl]benzoic acid Traditional Name: 2-[3-[(2-chlorophenyl)thiocarbamoylamino]-4-keto-thiazolidin-2-yl]benzoic acid Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(S1)C2=CC=CC=C2C(=O)O)NC(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

C1C(=O)N(C(S1)C2=CC=CC=C2C(=O)O)NC(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C17H14ClN3O3S2/c18-12-7-3-4-8-13(12)19-17(25)20-21-14(22)9-26-15(21)10-5-1-2-6-11(10)16(23)24/h1-8,15H,9H2,(H,23,24)(H2,19,20,25)