N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 2-hexoxy-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: 2-hexoxy-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)CC

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)CC

InChI

InChI=1S/C26H35N3O4S/c1-4-6-7-12-17-32-23-16-11-9-14-21(23)25(31)27-26(34)29-28-24(30)18-33-22-15-10-8-13-20(22)19(3)5-2/h8-11,13-16,19H,4-7,12,17-18H2,1-3H3,(H,28,30)(H2,27,29,31,34)