methyl 4-[[2-(4-propoxycarbonylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(4-propoxycarbonylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[[1-oxo-2-[4-[oxo(propoxy)methyl]phenoxy]ethyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O7S/c1-3-12-31-21(29)16-8-10-17(11-9-16)32-13-18(26)24-25-22(33)23-19(27)14-4-6-15(7-5-14)20(28)30-2/h4-11H,3,12-13H2,1-2H3,(H,24,26)(H2,23,25,27,33)