methyl 4-[(2-phenoxyethanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-phenoxyethanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[(2-phenoxyacetyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-phenoxyacetyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[(2-phenoxyacetyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C18H17N3O5S/c1-25-17(24)13-9-7-12(8-10-13)16(23)19-18(27)21-20-15(22)11-26-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,20,22)(H2,19,21,23,27)