2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)butanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)butanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)butyramide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O2S2/c1-4-17(29-22-23-16-12-8-9-13-18(16)30-22)20(27)24-19-14(2)25(3)26(21(19)28)15-10-6-5-7-11-15/h5-13,17H,4H2,1-3H3,(H,24,27)