N-(1,3-benzothiazol-6-yl)-2-[4-chloranyl-2-(3-cyanophenyl)carbonyl-phenoxy]ethanamide

Systemtic Name: N-(1,3-benzothiazol-6-yl)-2-[4-chloranyl-2-(3-cyanophenyl)carbonyl-phenoxy]ethanamide Openeye Name: N-(1,3-benzothiazol-6-yl)-2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]acetamide CAS Name: N-(1,3-benzothiazol-6-yl)-2-[4-chloro-2-[(3-cyanophenyl)-oxomethyl]phenoxy]acetamide IUPAC Name: N-(1,3-benzothiazol-6-yl)-2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]acetamide Traditional Name: N-(1,3-benzothiazol-6-yl)-2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]acetamide Formula: C23H14ClN3O3S MolecularWeight: 447.89356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)C2=C(C=CC(=C2)Cl)OCC(=O)NC3=CC4=C(C=C3)N=CS4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)C2=C(C=CC(=C2)Cl)OCC(=O)NC3=CC4=C(C=C3)N=CS4)C#N

InChI

InChI=1S/C23H14ClN3O3S/c24-16-4-7-20(18(9-16)23(29)15-3-1-2-14(8-15)11-25)30-12-22(28)27-17-5-6-19-21(10-17)31-13-26-19/h1-10,13H,12H2,(H,27,28)