4-[(4-cyanophenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(3,5-dimethylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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