tert-butyl 4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methyl-hexyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methyl-hexyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-cyano-4-(5-isocyano-2-thienyl)-5-methyl-hexyl]piperazine-1-carboxylate CAS Name: 4-[4-cyano-4-(5-isocyano-2-thiophenyl)-5-methylhexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methylhexyl]piperazine-1-carboxylate Traditional Name: 4-[4-cyano-4-(5-isocyano-2-thienyl)-5-methyl-hexyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C(=O)OC(C)(C)C)(C#N)C2=CC=C(S2)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C(=O)OC(C)(C)C)(C#N)C2=CC=C(S2)[N+]#[C-]

InChI

InChI=1S/C22H32N4O2S/c1-17(2)22(16-23,18-8-9-19(24-6)29-18)10-7-11-25-12-14-26(15-13-25)20(27)28-21(3,4)5/h8-9,17H,7,10-15H2,1-5H3