ethyl 4-[(3-butoxyphenyl)carbonylcarbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[(3-butoxyphenyl)carbonylcarbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate Openeye Name: ethyl 4-[(3-butoxybenzoyl)carbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate CAS Name: 4-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-[(2,4-dichlorophenyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-butoxybenzoyl)carbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate Traditional Name: 4-[(3-butoxybenzoyl)thiocarbamoyl-(2,4-dichlorobenzyl)amino]benzoic acid ethyl ester Formula: C28H28Cl2N2O4S MolecularWeight: 559.50392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N(CC2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N(CC2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C28H28Cl2N2O4S/c1-3-5-15-36-24-8-6-7-20(16-24)26(33)31-28(37)32(18-21-9-12-22(29)17-25(21)30)23-13-10-19(11-14-23)27(34)35-4-2/h6-14,16-17H,3-5,15,18H2,1-2H3,(H,31,33,37)