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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4S/c22-16-19-6-8-20(9-7-19)17-24-12-14-25(15-13-24)21(26)23-11-10-18-4-2-1-3-5-18/h1-9H,10-15,17H2,(H,23,26)