N-[[2-(2,4-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[2-(2,4-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[[2-(2,4-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C)C

InChI

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