ethyl 4-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate Openeye Name: ethyl 4-[(3-bromo-4-ethoxy-benzoyl)carbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate CAS Name: 4-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-[(2,4-dichlorophenyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate Traditional Name: 4-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoyl-(2,4-dichlorobenzyl)amino]benzoic acid ethyl ester Formula: C26H23BrCl2N2O4S MolecularWeight: 610.34682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)C(=O)OCC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)C(=O)OCC)Br

InChI

InChI=1S/C26H23BrCl2N2O4S/c1-3-34-23-12-8-17(13-21(23)27)24(32)30-26(36)31(15-18-5-9-19(28)14-22(18)29)20-10-6-16(7-11-20)25(33)35-4-2/h5-14H,3-4,15H2,1-2H3,(H,30,32,36)