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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)butyramide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O2S/c1-15-21(22(28)26(25(15)2)16-9-4-3-5-10-16)24-19(27)13-8-14-20-23-17-11-6-7-12-18(17)29-20/h3-7,9-12H,8,13-14H2,1-2H3,(H,24,27)