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

Systemtic Name: methyl 4-[[2-(4-chloranylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(4-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(4-chlorophenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O5S/c1-26-17(25)12-4-2-11(3-5-12)16(24)20-18(28)22-21-15(23)10-27-14-8-6-13(19)7-9-14/h2-9H,10H2,1H3,(H,21,23)(H2,20,22,24,28)