(E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-isopropylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-p-cumenyl-acrylamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(=CC3=CC=C(C=C3)C(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)/C(=C/C3=CC=C(C=C3)C(C)C)/C#N)C

InChI

InChI=1S/C22H21N3OS/c1-13(2)17-7-5-16(6-8-17)11-18(12-23)21(26)25-22-24-20-15(4)9-14(3)10-19(20)27-22/h5-11,13H,1-4H3,(H,24,25,26)/b18-11+