4-[2-[[2,6-bis(oxidanylidene)-4-phenyl-cyclohexylidene]methylamino]ethyl]-N-cyclohexyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[[2,6-bis(oxidanylidene)-4-phenyl-cyclohexylidene]methylamino]ethyl]-N-cyclohexyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclohexyl-4-[2-[(2,6-dioxo-4-phenyl-cyclohexylidene)methylamino]ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclohexyl-4-[2-[(2,6-dioxo-4-phenylcyclohexylidene)methylamino]ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclohexyl-4-[2-[(2,6-dioxo-4-phenylcyclohexylidene)methylamino]ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclohexyl-4-[2-[(2,6-diketo-4-phenyl-cyclohexylidene)methylamino]ethyl]piperazin-4-ium-1-carbothioamide Formula: C26H37N4O2S+ MolecularWeight: 469.66258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CCNC=C3C(=O)CC(CC3=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CCNC=C3C(=O)CC(CC3=O)C4=CC=CC=C4

InChI

InChI=1S/C26H36N4O2S/c31-24-17-21(20-7-3-1-4-8-20)18-25(32)23(24)19-27-11-12-29-13-15-30(16-14-29)26(33)28-22-9-5-2-6-10-22/h1,3-4,7-8,19,21-22,27H,2,5-6,9-18H2,(H,28,33)/p+1