2-[[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]amino]methyl]benzoic acid IUPAC Name: 2-[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid Traditional Name: 2-[[2-(benzylthio)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C22H16N2O3S2 MolecularWeight: 420.50404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H16N2O3S2/c25-20(16-8-4-5-9-17(16)21(26)27)23-15-10-11-18-19(12-15)29-22(24-18)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,25)(H,26,27)