3-(4-butoxy-3-methoxy-phenyl)-2-cyano-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide

Systemtic Name: 3-(4-butoxy-3-methoxy-phenyl)-2-cyano-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide Openeye Name: N-(5-benzylthiazol-2-yl)-3-(4-butoxy-3-methoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: 3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-[5-(phenylmethyl)-2-thiazolyl]-2-propenamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: N-(5-benzylthiazol-2-yl)-3-(4-butoxy-3-methoxy-phenyl)-2-cyano-acrylamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C25H25N3O3S/c1-3-4-12-31-22-11-10-19(15-23(22)30-2)13-20(16-26)24(29)28-25-27-17-21(32-25)14-18-8-6-5-7-9-18/h5-11,13,15,17H,3-4,12,14H2,1-2H3,(H,27,28,29)