dimethyl 5-[(2-bromophenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-bromophenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-bromobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-bromobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-bromobenzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H15BrN2O5S MolecularWeight: 451.2911

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)C(=O)OC

InChI

InChI=1S/C18H15BrN2O5S/c1-25-16(23)10-7-11(17(24)26-2)9-12(8-10)20-18(27)21-15(22)13-5-3-4-6-14(13)19/h3-9H,1-2H3,(H2,20,21,22,27)