dimethyl 5-[(2-bromanyl-4,5-dimethyl-phenyl)carbamothioylcarbamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-bromanyl-4,5-dimethyl-phenyl)carbamothioylcarbamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-bromo-4,5-dimethyl-phenyl)carbamothioylcarbamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[[(2-bromo-4,5-dimethylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-bromo-4,5-dimethylphenyl)carbamothioylcarbamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-bromo-4,5-dimethyl-phenyl)thiocarbamoylcarbamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC(=S)NC(=O)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC(=S)NC(=O)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H19BrN2O5S/c1-10-5-15(21)16(6-11(10)2)22-20(29)23-17(24)12-7-13(18(25)27-3)9-14(8-12)19(26)28-4/h5-9H,1-4H3,(H2,22,23,24,29)