dimethyl 5-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C20H19BrN2O6S/c1-10-5-13(21)9-15(16(10)27-2)17(24)23-20(30)22-14-7-11(18(25)28-3)6-12(8-14)19(26)29-4/h5-9H,1-4H3,(H2,22,23,24,30)