N-(2-hydroxyphenyl)-1-(2-phenylsulfanylethylcarbamothioyl)piperidine-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-(2-phenylsulfanylethylcarbamothioyl)piperidine-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-(2-phenylsulfanylethylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-(2-phenylsulfanylethylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[2-(phenylthio)ethylthiocarbamoyl]isonipecotamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2O)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2O)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S2/c25-19-9-5-4-8-18(19)23-20(26)16-10-13-24(14-11-16)21(27)22-12-15-28-17-6-2-1-3-7-17/h1-9,16,25H,10-15H2,(H,22,27)(H,23,26)