3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazino]methyl]benzonitrile Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4S/c21-13-16-4-3-5-17(12-16)14-23-8-10-24(11-9-23)15-20-22-18-6-1-2-7-19(18)25-20/h1-7,12H,8-11,14-15H2