N-(4-bromanyl-2-chloranyl-phenyl)-4-[1-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonyl]piperidin-4-yl]piperidine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[1-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonyl]piperidin-4-yl]piperidine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[1-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)-4-piperidyl]piperidine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[1-[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methyl]-4-piperidinyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[1-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)piperidin-4-yl]piperidine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-[1-(2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carbonyl)-4-piperidyl]piperidine-1-carbothioamide Formula: C27H35BrClN3O3S MolecularWeight: 597.0071

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)N3CCC(CC3)C4CCN(CC4)C(=S)NC5=C(C=C(C=C5)Br)Cl)C)C

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)N3CCC(CC3)C4CCN(CC4)C(=S)NC5=C(C=C(C=C5)Br)Cl)C)C

InChI

InChI=1S/C27H35BrClN3O3S/c1-25(2)26(3)10-11-27(25,35-23(26)34)22(33)31-12-6-17(7-13-31)18-8-14-32(15-9-18)24(36)30-21-5-4-19(28)16-20(21)29/h4-5,16-18H,6-15H2,1-3H3,(H,30,36)