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

Systemtic Name: 4-[2-[4-[4-cyano-4-(4-isocyanothiophen-2-yl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-[4-cyano-4-(4-isocyano-2-thienyl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-[4-[4-cyano-4-(4-isocyano-2-thiophenyl)-5-methylhexyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-[4-[4-cyano-4-(4-isocyanothiophen-2-yl)-5-methylhexyl]piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-[4-[4-cyano-4-(4-isocyano-2-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=C(C=C2)C#N)(C#N)C3=CC(=CS3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)C#N)(C#N)C3=CC(=CS3)[N+]#[C-]

InChI

InChI=1S/C26H31N5OS/c1-21(2)26(20-28,25-17-23(29-3)19-33-25)9-4-10-30-11-13-31(14-12-30)15-16-32-24-7-5-22(18-27)6-8-24/h5-8,17,19,21H,4,9-16H2,1-2H3