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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: 4-keto-N-(4-methyl-1,3-benzothiazol-2-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=C2C(=CC=C1)SC(=N2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

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