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

Systemtic Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)-2-cyano-prop-2-enamide Openeye Name: N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-3-(2-butoxyphenyl)-2-cyano-prop-2-enamide CAS Name: N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-3-(2-butoxyphenyl)-2-cyano-2-propenamide IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: N-[5-(4-bromobenzyl)thiazol-2-yl]-3-(2-butoxyphenyl)-2-cyano-acrylamide Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H22BrN3O2S/c1-2-3-12-30-22-7-5-4-6-18(22)14-19(15-26)23(29)28-24-27-16-21(31-24)13-17-8-10-20(25)11-9-17/h4-11,14,16H,2-3,12-13H2,1H3,(H,27,28,29)