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

Systemtic Name: 4-[[4-[2-(thiophen-3-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-thienylmethylsulfanyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(3-thiophenylmethylthio)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-thenylthio)benzoyl]piperazino]methyl]benzonitrile Formula: C24H23N3OS2 MolecularWeight: 433.58892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3SCC4=CSC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3SCC4=CSC=C4

InChI

InChI=1S/C24H23N3OS2/c25-15-19-5-7-20(8-6-19)16-26-10-12-27(13-11-26)24(28)22-3-1-2-4-23(22)30-18-21-9-14-29-17-21/h1-9,14,17H,10-13,16,18H2