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

Systemtic Name: N-[[2-[(E)-3-phenylprop-2-enyl]-5-sulfanyl-1-benzothiophen-3-yl]methyl]cyclobutanecarboxamide Openeye Name: N-[[2-[(E)-cinnamyl]-5-sulfanyl-benzothiophen-3-yl]methyl]cyclobutanecarboxamide CAS Name: N-[[5-mercapto-2-[(E)-3-phenylprop-2-enyl]-1-benzothiophen-3-yl]methyl]cyclobutanecarboxamide IUPAC Name: N-[[2-[(E)-3-phenylprop-2-enyl]-5-sulfanyl-1-benzothiophen-3-yl]methyl]cyclobutanecarboxamide Traditional Name: N-[[2-[(E)-cinnamyl]-5-mercapto-benzothiophen-3-yl]methyl]cyclobutanecarboxamide Formula: C23H23NOS2 MolecularWeight: 393.56482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NCC2=C(SC3=C2C=C(C=C3)S)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CC(C1)C(=O)NCC2=C(SC3=C2C=C(C=C3)S)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H23NOS2/c25-23(17-9-5-10-17)24-15-20-19-14-18(26)12-13-22(19)27-21(20)11-4-8-16-6-2-1-3-7-16/h1-4,6-8,12-14,17,26H,5,9-11,15H2,(H,24,25)/b8-4+