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

Systemtic Name: methyl 4-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-26-15-9-3-12(4-10-15)11-16(23)21-22-19(28)20-17(24)13-5-7-14(8-6-13)18(25)27-2/h3-10H,11H2,1-2H3,(H,21,23)(H2,20,22,24,28)