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

Systemtic Name: 2-cyano-3-(4-hexoxyphenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide Openeye Name: N-(5-benzylthiazol-2-yl)-2-cyano-3-(4-hexoxyphenyl)prop-2-enamide CAS Name: 2-cyano-3-(4-hexoxyphenyl)-N-[5-(phenylmethyl)-2-thiazolyl]-2-propenamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-(4-hexoxyphenyl)prop-2-enamide Traditional Name: N-(5-benzylthiazol-2-yl)-2-cyano-3-(4-hexoxyphenyl)acrylamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S/c1-2-3-4-8-15-31-23-13-11-21(12-14-23)16-22(18-27)25(30)29-26-28-19-24(32-26)17-20-9-6-5-7-10-20/h5-7,9-14,16,19H,2-4,8,15,17H2,1H3,(H,28,29,30)