N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-hexoxyphenyl)prop-2-enamide

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-hexoxyphenyl)prop-2-enamide Openeye Name: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-2-cyano-3-(4-hexoxyphenyl)prop-2-enamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-2-cyano-3-(4-hexoxyphenyl)-2-propenamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-hexoxyphenyl)prop-2-enamide Traditional Name: N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-2-cyano-3-(4-hexoxyphenyl)acrylamide Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C27H28ClN3O2S/c1-3-4-5-6-13-33-23-11-9-20(10-12-23)14-22(17-29)26(32)31-27-30-18-24(34-27)15-21-8-7-19(2)25(28)16-21/h7-12,14,16,18H,3-6,13,15H2,1-2H3,(H,30,31,32)