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

Systemtic Name: N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[[2-(3,5-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=CC(=CC(=C2)C)C

Isomeric SMILES

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

InChI

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