4-[(4-cyanophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(4-isopropylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(4-propan-2-ylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-p-cumenyl-piperazin-4-ium-1-carbothioamide Formula: C22H27N4S+ MolecularWeight: 379.54158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4S/c1-17(2)20-7-9-21(10-8-20)24-22(27)26-13-11-25(12-14-26)16-19-5-3-18(15-23)4-6-19/h3-10,17H,11-14,16H2,1-2H3,(H,24,27)/p+1