N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: 4-keto-N-(2-methyl-1,3-benzothiazol-6-yl)-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-14-22-18-8-7-16(13-19(18)28-14)23-20(26)9-10-21(27)25-12-11-17(24-25)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,23,26)