N-[2,2,2-tris(chloranyl)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]ethyl]-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]ethyl]-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-[2,2,2-trichloro-1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C22H20Cl3N5O5S MolecularWeight: 572.8487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H20Cl3N5O5S/c1-13-18(20(33)30(28(13)2)14-8-4-3-5-9-14)27-21(22(23,24)25)26-17(31)12-29-19(32)15-10-6-7-11-16(15)36(29,34)35/h3-11,21,27H,12H2,1-2H3,(H,26,31)