N-(cyanomethyl)-1-[2-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[2-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-1-[2-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-1-[[2-[4-(1-piperazinyl)phenyl]phenyl]thio]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-1-[2-(4-piperazin-1-ylphenyl)phenyl]sulfanylcyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-1-[[2-(4-piperazinophenyl)phenyl]thio]cyclohexanecarboxamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC#N)SC2=CC=CC=C2C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)SC2=CC=CC=C2C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C25H30N4OS/c26-14-15-28-24(30)25(12-4-1-5-13-25)31-23-7-3-2-6-22(23)20-8-10-21(11-9-20)29-18-16-27-17-19-29/h2-3,6-11,27H,1,4-5,12-13,15-19H2,(H,28,30)