methyl 4-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-12-8-13(2)10-16(9-12)28-11-17(24)22-23-20(29)21-18(25)14-4-6-15(7-5-14)19(26)27-3/h4-10H,11H2,1-3H3,(H,22,24)(H2,21,23,25,29)