4-[(4-cyanophenyl)methyl]-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(2,5-dimethylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4S/c1-16-3-4-17(2)20(13-16)23-21(26)25-11-9-24(10-12-25)15-19-7-5-18(14-22)6-8-19/h3-8,13H,9-12,15H2,1-2H3,(H,23,26)/p+1