4-[2-[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[(3,3-dimethyl-5-oxo-cyclohexylidene)amino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]ethyl]-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]ethyl]-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[(5-keto-3,3-dimethyl-cyclohexylidene)amino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-21(2)15-18(14-19(26)16-21)22-8-9-24-10-12-25(13-11-24)20(27)23-17-6-4-3-5-7-17/h3-7H,8-16H2,1-2H3,(H,23,27)/p+1