2-[2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]benzoic acid Openeye Name: 2-[2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[[4-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]benzoic acid Formula: C27H18N2O3S MolecularWeight: 450.50842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H18N2O3S/c30-25(21-9-3-1-7-19(21)20-8-2-4-10-22(20)27(31)32)28-18-15-13-17(14-16-18)26-29-23-11-5-6-12-24(23)33-26/h1-16H,(H,28,30)(H,31,32)