2,4-bis(4-octoxyphenyl)-N1,N3-bis[4-(2-thiophen-2-ylethynyl)phenyl]cyclobutane-1,3-dicarboxamide

Systemtic Name: 2,4-bis(4-octoxyphenyl)-N1,N3-bis[4-(2-thiophen-2-ylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Openeye Name: 2,4-bis(4-octoxyphenyl)-N1,N3-bis[4-[2-(2-thienyl)ethynyl]phenyl]cyclobutane-1,3-dicarboxamide CAS Name: 2,4-bis(4-octoxyphenyl)-N1,N3-bis[4-(2-thiophen-2-ylethynyl)phenyl]cyclobutane-1,3-dicarboxamide IUPAC Name: 2,4-bis(4-octoxyphenyl)-1-N,3-N-bis[4-(2-thiophen-2-ylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Traditional Name: 2,4-bis(4-octoxyphenyl)-N,N'-bis[4-[2-(2-thienyl)ethynyl]phenyl]cyclobutane-1,3-dicarboxamide Formula: C58H62N2O4S2 MolecularWeight: 915.25388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C(C(C2C(=O)NC3=CC=C(C=C3)C#CC4=CC=CS4)C5=CC=C(C=C5)OCCCCCCCC)C(=O)NC6=CC=C(C=C6)C#CC7=CC=CS7

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C(C(C2C(=O)NC3=CC=C(C=C3)C#CC4=CC=CS4)C5=CC=C(C=C5)OCCCCCCCC)C(=O)NC6=CC=C(C=C6)C#CC7=CC=CS7

InChI

InChI=1S/C58H62N2O4S2/c1-3-5-7-9-11-13-39-63-49-33-25-45(26-34-49)53-55(57(61)59-47-29-19-43(20-30-47)23-37-51-17-15-41-65-51)54(46-27-35-50(36-28-46)64-40-14-12-10-8-6-4-2)56(53)58(62)60-48-31-21-44(22-32-48)24-38-52-18-16-42-66-52/h15-22,25-36,41-42,53-56H,3-14,39-40H2,1-2H3,(H,59,61)(H,60,62)