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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

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