N-(cyanomethyl)-1-[3-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[3-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-1-[3-(4-piperazin-1-ylphenyl)phenyl]sulfanyl-cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-1-[[3-[4-(1-piperazinyl)phenyl]phenyl]thio]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-1-[3-(4-piperazin-1-ylphenyl)phenyl]sulfanylcyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-1-[[3-(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(=C2)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)SC2=CC=CC(=C2)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C25H30N4OS/c26-13-14-28-24(30)25(11-2-1-3-12-25)31-23-6-4-5-21(19-23)20-7-9-22(10-8-20)29-17-15-27-16-18-29/h4-10,19,27H,1-3,11-12,14-18H2,(H,28,30)