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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: 4-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-28-15-7-8-17-18(13-15)29-21(22-17)23-19(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,22,23,26)