2-[2-(4-piperidin-1-ylcarbonylpiperidin-1-yl)carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-(4-piperidin-1-ylcarbonylpiperidin-1-yl)carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[oxo-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]methyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]thio]benzonitrile Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C25H27N3O2S/c26-18-20-8-2-4-10-22(20)31-23-11-5-3-9-21(23)25(30)28-16-12-19(13-17-28)24(29)27-14-6-1-7-15-27/h2-5,8-11,19H,1,6-7,12-17H2