N-(4-cyanophenyl)-4-[2-[(4-cyanophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-cyanophenyl)-4-[2-[(4-cyanophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-(4-cyanophenyl)-4-[2-[(4-cyanophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide CAS Name: 4-[2-[[(4-cyanoanilino)-sulfanylidenemethyl]amino]ethyl]-N-(4-cyanophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-cyanophenyl)-4-[2-[(4-cyanophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-(4-cyanophenyl)-4-[2-[(4-cyanophenyl)thiocarbamoylamino]ethyl]piperazine-1-carbothioamide Formula: C22H23N7S2 MolecularWeight: 449.59492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=S)NC2=CC=C(C=C2)C#N)C(=S)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CCNC(=S)NC2=CC=C(C=C2)C#N)C(=S)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N7S2/c23-15-17-1-5-19(6-2-17)26-21(30)25-9-10-28-11-13-29(14-12-28)22(31)27-20-7-3-18(16-24)4-8-20/h1-8H,9-14H2,(H,27,31)(H2,25,26,30)