2-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(2-keto-2-piperidino-ethyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C25H28N4O2S/c26-18-20-8-2-4-10-22(20)32-23-11-5-3-9-21(23)25(31)29-16-14-27(15-17-29)19-24(30)28-12-6-1-7-13-28/h2-5,8-11H,1,6-7,12-17,19H2