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

Systemtic Name: 3-[[4-[2-(1,3-benzothiazol-2-ylamino)ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[2-(1,3-benzothiazol-2-ylamino)ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[2-(1,3-benzothiazol-2-ylamino)ethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[2-(1,3-benzothiazol-2-ylamino)ethyl]piperazino]methyl]benzonitrile Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=NC3=CC=CC=C3S2)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CCNC2=NC3=CC=CC=C3S2)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H23N5S/c22-15-17-4-3-5-18(14-17)16-26-12-10-25(11-13-26)9-8-23-21-24-19-6-1-2-7-20(19)27-21/h1-7,14H,8-13,16H2,(H,23,24)