dimethyl 5-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-chloro-5-iodobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H14ClIN2O5S MolecularWeight: 532.73663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C(=O)OC

InChI

InChI=1S/C18H14ClIN2O5S/c1-26-16(24)9-5-10(17(25)27-2)7-12(6-9)21-18(28)22-15(23)13-8-11(20)3-4-14(13)19/h3-8H,1-2H3,(H2,21,22,23,28)