4-[(4-cyanophenyl)methyl]-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-[2-(phenylthio)ethyl]piperazine-1-carbothioamide Formula: C21H24N4S2 MolecularWeight: 396.57206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H24N4S2/c22-16-18-6-8-19(9-7-18)17-24-11-13-25(14-12-24)21(26)23-10-15-27-20-4-2-1-3-5-20/h1-9H,10-15,17H2,(H,23,26)