(3S)-3-(1,3-benzoxazol-2-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)piperidine-1-carbothioamide

Systemtic Name: (3S)-3-(1,3-benzoxazol-2-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)piperidine-1-carbothioamide Openeye Name: (3S)-3-(1,3-benzoxazol-2-yl)-N-(3-chloro-4-fluoro-phenyl)piperidine-1-carbothioamide CAS Name: (3S)-3-(1,3-benzoxazol-2-yl)-N-(3-chloro-4-fluorophenyl)-1-piperidinecarbothioamide IUPAC Name: (3S)-3-(1,3-benzoxazol-2-yl)-N-(3-chloro-4-fluorophenyl)piperidine-1-carbothioamide Traditional Name: (3S)-3-(1,3-benzoxazol-2-yl)-N-(3-chloro-4-fluoro-phenyl)piperidine-1-carbothioamide Formula: C19H17ClFN3OS MolecularWeight: 389.874183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H17ClFN3OS/c20-14-10-13(7-8-15(14)21)22-19(26)24-9-3-4-12(11-24)18-23-16-5-1-2-6-17(16)25-18/h1-2,5-8,10,12H,3-4,9,11H2,(H,22,26)/t12-/m0/s1