dimethyl 5-[(4-bromophenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-bromophenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-bromobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-bromobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-bromobenzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H15BrN2O5S MolecularWeight: 451.2911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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