methyl 3-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[2-(4-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[2-(4-methoxyphenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C19H19N3O6S/c1-26-14-6-8-15(9-7-14)28-11-16(23)21-22-19(29)20-17(24)12-4-3-5-13(10-12)18(25)27-2/h3-10H,11H2,1-2H3,(H,21,23)(H2,20,22,24,29)