2-[2-[4-(phenylcarbonyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(phenylcarbonyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[(4-benzoyl-1-piperazinyl)-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-(4-benzoylpiperazine-1-carbonyl)phenyl]thio]benzonitrile Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C25H21N3O2S/c26-18-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)25(30)28-16-14-27(15-17-28)24(29)19-8-2-1-3-9-19/h1-13H,14-17H2