4-[[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]piperazino]methyl]benzonitrile Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H24N4O2S/c28-17-20-9-11-21(12-10-20)18-30-13-15-31(16-14-30)26(32)23-6-2-1-5-22(23)19-34-27-29-24-7-3-4-8-25(24)33-27/h1-12H,13-16,18-19H2