N-[[5-cyclohex-2-en-1-ylsulfanyl-2-[(E)-3-phenylprop-2-enyl]-1-benzothiophen-3-yl]methyl]cyclobutanecarboxamide

Systemtic Name: N-[[5-cyclohex-2-en-1-ylsulfanyl-2-[(E)-3-phenylprop-2-enyl]-1-benzothiophen-3-yl]methyl]cyclobutanecarboxamide Openeye Name: N-[[2-[(E)-cinnamyl]-5-cyclohex-2-en-1-ylsulfanyl-benzothiophen-3-yl]methyl]cyclobutanecarboxamide CAS Name: N-[[5-(1-cyclohex-2-enylthio)-2-[(E)-3-phenylprop-2-enyl]-1-benzothiophen-3-yl]methyl]cyclobutanecarboxamide IUPAC Name: N-[[5-cyclohex-2-en-1-ylsulfanyl-2-[(E)-3-phenylprop-2-enyl]-1-benzothiophen-3-yl]methyl]cyclobutanecarboxamide Traditional Name: N-[[2-[(E)-cinnamyl]-5-(cyclohex-2-en-1-ylthio)benzothiophen-3-yl]methyl]cyclobutanecarboxamide Formula: C29H31NOS2 MolecularWeight: 473.69254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CC(C1)SC2=CC3=C(C=C2)SC(=C3CNC(=O)C4CCC4)CC=CC5=CC=CC=C5

Isomeric SMILES

C1CC=CC(C1)SC2=CC3=C(C=C2)SC(=C3CNC(=O)C4CCC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C29H31NOS2/c31-29(22-12-8-13-22)30-20-26-25-19-24(32-23-14-5-2-6-15-23)17-18-28(25)33-27(26)16-7-11-21-9-3-1-4-10-21/h1,3-5,7,9-11,14,17-19,22-23H,2,6,8,12-13,15-16,20H2,(H,30,31)/b11-7+