2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C

InChI

InChI=1S/C22H21N5O3S2/c1-13-20(21(30)27(26(13)3)16-7-5-4-6-8-16)25-19(29)12-31-22-24-17-10-9-15(23-14(2)28)11-18(17)32-22/h4-11H,12H2,1-3H3,(H,23,28)(H,25,29)