(E)-3-(6-methoxy-3-pentyl-1-benzothiophen-2-yl)-N-[4-(2H-pyrimidin-1-yl)butyl]prop-2-enamide

Systemtic Name: (E)-3-(6-methoxy-3-pentyl-1-benzothiophen-2-yl)-N-[4-(2H-pyrimidin-1-yl)butyl]prop-2-enamide Openeye Name: (E)-3-(6-methoxy-3-pentyl-benzothiophen-2-yl)-N-[4-(2H-pyrimidin-1-yl)butyl]prop-2-enamide CAS Name: (E)-3-(6-methoxy-3-pentyl-1-benzothiophen-2-yl)-N-[4-(2H-pyrimidin-1-yl)butyl]-2-propenamide IUPAC Name: (E)-3-(6-methoxy-3-pentyl-1-benzothiophen-2-yl)-N-[4-(2H-pyrimidin-1-yl)butyl]prop-2-enamide Traditional Name: (E)-3-(3-amyl-6-methoxy-benzothiophen-2-yl)-N-[4-(2H-pyrimidin-1-yl)butyl]acrylamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(SC2=C1C=CC(=C2)OC)C=CC(=O)NCCCCN3CN=CC=C3

Isomeric SMILES

CCCCCC1=C(SC2=C1C=CC(=C2)OC)/C=C/C(=O)NCCCCN3CN=CC=C3

InChI

InChI=1S/C25H33N3O2S/c1-3-4-5-9-21-22-11-10-20(30-2)18-24(22)31-23(21)12-13-25(29)27-15-6-7-16-28-17-8-14-26-19-28/h8,10-14,17-18H,3-7,9,15-16,19H2,1-2H3,(H,27,29)/b13-12+