N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C24H31N3O4S/c1-4-5-6-7-12-30-20-10-8-19(9-11-20)23(29)25-24(32)27-26-22(28)16-31-21-14-17(2)13-18(3)15-21/h8-11,13-15H,4-7,12,16H2,1-3H3,(H,26,28)(H2,25,27,29,32)