4-[[4-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(thiazol-4-ylmethylsulfanyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(4-thiazolylmethylthio)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(thiazol-4-ylmethylthio)benzoyl]piperazino]methyl]benzonitrile Formula: C23H22N4OS2 MolecularWeight: 434.57698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3SCC4=CSC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3SCC4=CSC=N4

InChI

InChI=1S/C23H22N4OS2/c24-13-18-5-7-19(8-6-18)14-26-9-11-27(12-10-26)23(28)21-3-1-2-4-22(21)30-16-20-15-29-17-25-20/h1-8,15,17H,9-12,14,16H2