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

Systemtic Name: (E)-2-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-isopropylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-3-p-cumenyl-acrylamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=CC3=CC=C(C=C3)C(C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)/C(=C/C3=CC=C(C=C3)C(C)C)/C#N

InChI

InChI=1S/C21H19N3OS/c1-13(2)16-7-5-15(6-8-16)11-17(12-22)20(25)24-21-23-18-9-4-14(3)10-19(18)26-21/h4-11,13H,1-3H3,(H,23,24,25)/b17-11+