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

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile CAS Name: 2-[2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]benzonitrile IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile Traditional Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4C5=CC=CC=C5C#N

InChI

InChI=1S/C26H22N4OS/c27-17-19-7-1-2-8-20(19)21-9-3-4-10-22(21)26(31)30-15-13-29(14-16-30)18-25-28-23-11-5-6-12-24(23)32-25/h1-12H,13-16,18H2