N-(2-ethylhexylcarbamothioyl)-3-phenyl-propanamide

Systemtic Name: N-(2-ethylhexylcarbamothioyl)-3-phenyl-propanamide Openeye Name: N-(2-ethylhexylcarbamothioyl)-3-phenyl-propanamide CAS Name: N-[(2-ethylhexylamino)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-(2-ethylhexylcarbamothioyl)-3-phenylpropanamide Traditional Name: N-(2-ethylhexylthiocarbamoyl)-3-phenyl-propionamide Formula: C18H28N2OS MolecularWeight: 320.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)CNC(=S)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C18H28N2OS/c1-3-5-9-15(4-2)14-19-18(22)20-17(21)13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H2,19,20,21,22)