N-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide Openeye Name: N-(4-chloro-2-fluoro-5-methoxy-phenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide CAS Name: N-(4-chloro-2-fluoro-5-methoxyphenyl)-2-(hydroxymethyl)-1-piperidinecarbothioamide IUPAC Name: N-(4-chloro-2-fluoro-5-methoxyphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide Traditional Name: N-(4-chloro-2-fluoro-5-methoxy-phenyl)-2-methylol-piperidine-1-carbothioamide Formula: C14H18ClFN2O2S MolecularWeight: 332.821323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=S)N2CCCCC2CO)F)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=S)N2CCCCC2CO)F)Cl

InChI

InChI=1S/C14H18ClFN2O2S/c1-20-13-7-12(11(16)6-10(13)15)17-14(21)18-5-3-2-4-9(18)8-19/h6-7,9,19H,2-5,8H2,1H3,(H,17,21)