N-(4-bromanyl-2-chloranyl-phenyl)-4-[1-(2-phenylcyclopropyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[1-(2-phenylcyclopropyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[1-(2-phenylcyclopropanecarbonyl)-4-piperidyl]piperidine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[1-[oxo-(2-phenylcyclopropyl)methyl]-4-piperidinyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]piperidine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-[1-(2-phenylcyclopropanecarbonyl)-4-piperidyl]piperidine-1-carbothioamide Formula: C27H31BrClN3OS MolecularWeight: 560.97654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl)C(=O)C4CC4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl)C(=O)C4CC4C5=CC=CC=C5

InChI

InChI=1S/C27H31BrClN3OS/c28-21-6-7-25(24(29)16-21)30-27(34)32-14-10-19(11-15-32)18-8-12-31(13-9-18)26(33)23-17-22(23)20-4-2-1-3-5-20/h1-7,16,18-19,22-23H,8-15,17H2,(H,30,34)