ethyl 4-[(2,4-dichlorophenyl)methyl-(naphthalen-1-ylcarbonylcarbamothioyl)amino]benzoate

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(naphthalen-1-ylcarbonylcarbamothioyl)amino]benzoate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(naphthalene-1-carbonylcarbamothioyl)amino]benzoate CAS Name: 4-[(2,4-dichlorophenyl)methyl-[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(naphthalene-1-carbonylcarbamothioyl)amino]benzoate Traditional Name: 4-[(2,4-dichlorobenzyl)-(1-naphthoylthiocarbamoyl)amino]benzoic acid ethyl ester Formula: C28H22Cl2N2O3S MolecularWeight: 537.45688

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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=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H22Cl2N2O3S/c1-2-35-27(34)19-11-14-22(15-12-19)32(17-20-10-13-21(29)16-25(20)30)28(36)31-26(33)24-9-5-7-18-6-3-4-8-23(18)24/h3-16H,2,17H2,1H3,(H,31,33,36)