1-[[(2S)-2-ethylhexyl]carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[[(2S)-2-ethylhexyl]carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[[(2S)-2-ethylhexyl]carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide CAS Name: 1-[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]-N-(2-hydroxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[[(2S)-2-ethylhexyl]carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide Traditional Name: 1-[[(2S)-2-ethylhexyl]thiocarbamoyl]-N-(2-hydroxyphenyl)isonipecotamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCC(CC1)C(=O)NC2=CC=CC=C2O

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCC(CC1)C(=O)NC2=CC=CC=C2O

InChI

InChI=1S/C21H33N3O2S/c1-3-5-8-16(4-2)15-22-21(27)24-13-11-17(12-14-24)20(26)23-18-9-6-7-10-19(18)25/h6-7,9-10,16-17,25H,3-5,8,11-15H2,1-2H3,(H,22,27)(H,23,26)/t16-/m0/s1