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

Systemtic Name: 4-[2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methylamino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]ethyl]-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]ethyl]-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNCC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNCC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3)C(=O)C1)C

InChI

InChI=1S/C22H30N4O2S/c1-22(2)14-19(27)18(20(28)15-22)16-23-8-9-25-10-12-26(13-11-25)21(29)24-17-6-4-3-5-7-17/h3-7,16,23H,8-15H2,1-2H3,(H,24,29)/p+1