4-[[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbonyl]phenyl]thio]methyl]benzonitrile Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC=CC=C4SCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC=CC=C4SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H25N3O4S/c29-17-20-9-11-21(12-10-20)19-36-26-8-4-1-5-22(26)27(32)30-13-15-31(16-14-30)28(33)25-18-34-23-6-2-3-7-24(23)35-25/h1-12,25H,13-16,18-19H2