2-[2-[[(2S)-2-ethylhexyl]carbamothioylamino]phenyl]sulfanylethanamide

Systemtic Name: 2-[2-[[(2S)-2-ethylhexyl]carbamothioylamino]phenyl]sulfanylethanamide Openeye Name: 2-[2-[[(2S)-2-ethylhexyl]carbamothioylamino]phenyl]sulfanylacetamide CAS Name: 2-[[2-[[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]amino]phenyl]thio]acetamide IUPAC Name: 2-[2-[[(2S)-2-ethylhexyl]carbamothioylamino]phenyl]sulfanylacetamide Traditional Name: 2-[[2-[[(2S)-2-ethylhexyl]thiocarbamoylamino]phenyl]thio]acetamide Formula: C17H27N3OS2 MolecularWeight: 353.54578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=CC=CC=C1SCC(=O)N

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=CC=CC=C1SCC(=O)N

InChI

InChI=1S/C17H27N3OS2/c1-3-5-8-13(4-2)11-19-17(22)20-14-9-6-7-10-15(14)23-12-16(18)21/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H2,18,21)(H2,19,20,22)/t13-/m0/s1