4-[(4-thieno[3,2-b][1]benzothiol-2-ylcarbonylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-thieno[3,2-b][1]benzothiol-2-ylcarbonylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[4-(thieno[3,2-b]benzothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo(2-thieno[3,2-b][1]benzothiolyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(thieno[3,2-b][1]benzothiole-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(thieno[3,2-b]benzothiophene-2-carbonyl)piperazino]methyl]benzonitrile Formula: C23H19N3OS2 MolecularWeight: 417.54646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

InChI

InChI=1S/C23H19N3OS2/c24-14-16-5-7-17(8-6-16)15-25-9-11-26(12-10-25)23(27)21-13-20-22(29-21)18-3-1-2-4-19(18)28-20/h1-8,13H,9-12,15H2