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

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-[(4-cyanophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-[(4-cyanophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-cyanobenzyl)piperazine-1-carbothioamide Formula: C20H22N4S MolecularWeight: 350.48048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4S/c21-14-17-6-8-19(9-7-17)16-23-10-12-24(13-11-23)20(25)22-15-18-4-2-1-3-5-18/h1-9H,10-13,15-16H2,(H,22,25)