ethyl 4-[(2,4-dichlorophenyl)methyl-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]amino]benzoate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl-[(4-isopropylbenzoyl)carbamothioyl]amino]benzoate CAS Name: 4-[(2,4-dichlorophenyl)methyl-[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl-[(4-propan-2-ylbenzoyl)carbamothioyl]amino]benzoate Traditional Name: 4-[cumoylthiocarbamoyl-(2,4-dichlorobenzyl)amino]benzoic acid ethyl ester Formula: C27H26Cl2N2O3S MolecularWeight: 529.47794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C27H26Cl2N2O3S/c1-4-34-26(33)20-10-13-23(14-11-20)31(16-21-9-12-22(28)15-24(21)29)27(35)30-25(32)19-7-5-18(6-8-19)17(2)3/h5-15,17H,4,16H2,1-3H3,(H,30,32,35)