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

Systemtic Name: N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C

InChI

InChI=1S/C21H25N3O6S/c1-12-6-13(2)8-15(7-12)30-11-18(25)23-24-21(31)22-20(26)14-9-16(27-3)19(29-5)17(10-14)28-4/h6-10H,11H2,1-5H3,(H,23,25)(H2,22,24,26,31)