2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]acetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)CNC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N\NC(=O)CNC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N6OS/c1-14-17(15(2)27(26-14)16-8-4-3-5-9-16)12-23-25-20(28)13-22-21-24-18-10-6-7-11-19(18)29-21/h3-12H,13H2,1-2H3,(H,22,24)(H,25,28)/b23-12-