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

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide Openeye Name: 3-(4-benzyloxyphenyl)-N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-2-cyano-prop-2-enamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-2-cyano-3-(4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: 3-(4-benzoxyphenyl)-N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-2-cyano-acrylamide Formula: C28H22ClN3O2S MolecularWeight: 500.01118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)Cl

InChI

InChI=1S/C28H22ClN3O2S/c1-19-7-8-22(15-26(19)29)14-25-17-31-28(35-25)32-27(33)23(16-30)13-20-9-11-24(12-10-20)34-18-21-5-3-2-4-6-21/h2-13,15,17H,14,18H2,1H3,(H,31,32,33)