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

Systemtic Name: methyl 3-[[2-(4-propoxycarbonylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[[1-oxo-2-[4-[oxo(propoxy)methyl]phenoxy]ethyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[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(=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

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