N-(cyanomethyl)-1-[4-[4-(4-ethylpiperazin-1-yl)phenyl]phenyl]sulfanyl-cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[4-[4-(4-ethylpiperazin-1-yl)phenyl]phenyl]sulfanyl-cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-1-[4-[4-(4-ethylpiperazin-1-yl)phenyl]phenyl]sulfanyl-cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-1-[[4-[4-(4-ethyl-1-piperazinyl)phenyl]phenyl]thio]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-1-[4-[4-(4-ethylpiperazin-1-yl)phenyl]phenyl]sulfanylcyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-1-[[4-[4-(4-ethylpiperazino)phenyl]phenyl]thio]cyclohexanecarboxamide Formula: C27H34N4OS MolecularWeight: 462.65006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)SC4(CCCCC4)C(=O)NCC#N

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)SC4(CCCCC4)C(=O)NCC#N

InChI

InChI=1S/C27H34N4OS/c1-2-30-18-20-31(21-19-30)24-10-6-22(7-11-24)23-8-12-25(13-9-23)33-27(14-4-3-5-15-27)26(32)29-17-16-28/h6-13H,2-5,14-15,17-21H2,1H3,(H,29,32)