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

Systemtic Name: methyl 4-[[2-(4-chlorophenyl)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H16ClN3O4S/c1-26-17(25)13-6-4-12(5-7-13)16(24)20-18(27)22-21-15(23)10-11-2-8-14(19)9-3-11/h2-9H,10H2,1H3,(H,21,23)(H2,20,22,24,27)