4-[[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-[(2-thioxo-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoic acid CAS Name: 4-[[oxo-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]methyl]amino]benzoic acid IUPAC Name: 4-[[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoic acid Traditional Name: 4-[[4-[(2-thioxo-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoic acid Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17N3O3S2/c26-20(24-17-11-7-15(8-12-17)21(27)28)14-5-9-16(10-6-14)23-13-25-18-3-1-2-4-19(18)30-22(25)29/h1-12,23H,13H2,(H,24,26)(H,27,28)