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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

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