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

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C25H33N3O4S/c1-5-6-7-8-15-31-21-13-10-20(11-14-21)24(30)26-25(33)28-27-23(29)19(4)32-22-12-9-17(2)18(3)16-22/h9-14,16,19H,5-8,15H2,1-4H3,(H,27,29)(H2,26,28,30,33)