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

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: 4-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S2/c1-28-21-23-17-8-7-15(13-18(17)29-21)22-19(26)9-10-20(27)25-12-11-16(24-25)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,22,26)