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

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]thio]benzonitrile Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C26H29N3O2S/c27-19-21-9-3-5-11-23(21)32-24-12-6-4-10-22(24)26(31)29-17-13-20(14-18-29)25(30)28-15-7-1-2-8-16-28/h3-6,9-12,20H,1-2,7-8,13-18H2