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

Systemtic Name: methyl 4-[[2-(4-ethoxycarbonylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-(4-ethoxycarbonylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(4-ethoxycarbonylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-ethoxycarbonylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(4-carbethoxyphenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7S/c1-3-30-20(28)15-8-10-16(11-9-15)31-12-17(25)23-24-21(32)22-18(26)13-4-6-14(7-5-13)19(27)29-2/h4-11H,3,12H2,1-2H3,(H,23,25)(H2,22,24,26,32)