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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C25H33N3O4S/c1-5-6-7-10-15-31-22-12-9-8-11-21(22)24(30)26-25(33)28-27-23(29)19(4)32-20-14-13-17(2)18(3)16-20/h8-9,11-14,16,19H,5-7,10,15H2,1-4H3,(H,27,29)(H2,26,28,30,33)