N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-2-cyano-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: N-[5-(4-bromobenzyl)thiazol-2-yl]-2-cyano-3-(3,4-dimethoxyphenyl)acrylamide Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C22H18BrN3O3S/c1-28-19-8-5-15(11-20(19)29-2)9-16(12-24)21(27)26-22-25-13-18(30-22)10-14-3-6-17(23)7-4-14/h3-9,11,13H,10H2,1-2H3,(H,25,26,27)