2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)butyramide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)OCC

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)OCC

InChI

InChI=1S/C22H22N4O3S2/c1-3-17(30-22-23-16-11-10-15(29-4-2)12-18(16)31-22)21(28)24-19-13-20(27)26(25-19)14-8-6-5-7-9-14/h5-13,17,25H,3-4H2,1-2H3,(H,24,28)