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

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C26H22N4OS2 MolecularWeight: 470.60908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

InChI

InChI=1S/C26H22N4OS2/c27-17-19-7-1-4-10-22(19)32-23-11-5-2-8-20(23)26(31)30-15-13-29(14-16-30)18-25-28-21-9-3-6-12-24(21)33-25/h1-12H,13-16,18H2