3-[2-[4-[4-cyano-4-(5-isocyanothiophen-3-yl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[4-[4-cyano-4-(5-isocyanothiophen-3-yl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-cyano-4-(5-isocyano-3-thienyl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-[4-cyano-4-(5-isocyano-3-thiophenyl)-5-methylhexyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-[4-cyano-4-(5-isocyanothiophen-3-yl)-5-methylhexyl]piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[4-cyano-4-(5-isocyano-3-thienyl)-5-methyl-hexyl]piperazino]ethoxy]benzonitrile Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CSC(=C3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CSC(=C3)[N+]#[C-]

InChI

InChI=1S/C26H31N5OS/c1-21(2)26(20-28,23-17-25(29-3)33-19-23)8-5-9-30-10-12-31(13-11-30)14-15-32-24-7-4-6-22(16-24)18-27/h4,6-7,16-17,19,21H,5,8-15H2,1-2H3