4-[(4-cyanophenyl)methyl]-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(3,4-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C

InChI

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