4-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(4-phenylthiazol-2-yl)methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[(4-phenyl-2-thiazolyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[(4-phenylthiazol-2-yl)methyl]piperazine-1-carbonyl]benzonitrile Formula: C22H20N4OS MolecularWeight: 388.4854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H20N4OS/c23-14-17-6-8-19(9-7-17)22(27)26-12-10-25(11-13-26)15-21-24-20(16-28-21)18-4-2-1-3-5-18/h1-9,16H,10-13,15H2