N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-2-naphthalen-1-yl-ethanamide

Systemtic Name: N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-2-naphthalen-1-yl-ethanamide Openeye Name: 2-(1-naphthyl)-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]acetamide CAS Name: N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-ylacetamide Traditional Name: 2-(1-naphthyl)-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]acetamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H27N3O3S/c1-3-17(2)18-11-13-21(14-12-18)31-16-24(30)27-28-25(32)26-23(29)15-20-9-6-8-19-7-4-5-10-22(19)20/h4-14,17H,3,15-16H2,1-2H3,(H,27,30)(H2,26,28,29,32)