2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]phenyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]thio]-N-(4-fluorophenyl)acetamide Formula: C27H32FN3O3S MolecularWeight: 497.624683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H32FN3O3S/c28-21-9-11-22(12-10-21)29-25(32)19-35-24-8-4-3-7-23(24)27(34)31-17-13-20(14-18-31)26(33)30-15-5-1-2-6-16-30/h3-4,7-12,20H,1-2,5-6,13-19H2,(H,29,32)