N-(3-chloranyl-4-fluoranyl-phenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Formula: C25H24ClFN2OS MolecularWeight: 454.987263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C25H24ClFN2OS/c26-22-17-21(11-12-23(22)27)28-24(31)29-15-13-20(14-16-29)25(30,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,20,30H,13-16H2,(H,28,31)