(E)-N-butyl-2-cyano-3-[2-[(2,3-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-butyl-2-cyano-3-[2-[(2,3-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[2-(N-acetyl-2,3-dimethyl-anilino)thiazol-4-yl]-N-butyl-2-cyano-prop-2-enamide CAS Name: (E)-3-[2-(N-acetyl-2,3-dimethylanilino)-4-thiazolyl]-N-butyl-2-cyano-2-propenamide IUPAC Name: (E)-3-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]-N-butyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-[2-(N-acetyl-2,3-dimethyl-anilino)thiazol-4-yl]-N-butyl-2-cyano-acrylamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CSC(=N1)N(C2=CC=CC(=C2C)C)C(=O)C)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CSC(=N1)N(C2=CC=CC(=C2C)C)C(=O)C)/C#N

InChI

InChI=1S/C21H24N4O2S/c1-5-6-10-23-20(27)17(12-22)11-18-13-28-21(24-18)25(16(4)26)19-9-7-8-14(2)15(19)3/h7-9,11,13H,5-6,10H2,1-4H3,(H,23,27)/b17-11+