ethyl 4-[butanoylcarbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[butanoylcarbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate Openeye Name: ethyl 4-[butanoylcarbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate CAS Name: 4-[(2,4-dichlorophenyl)methyl-[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[butanoylcarbamothioyl-[(2,4-dichlorophenyl)methyl]amino]benzoate Traditional Name: 4-[butyrylthiocarbamoyl-(2,4-dichlorobenzyl)amino]benzoic acid ethyl ester Formula: C21H22Cl2N2O3S MolecularWeight: 453.38198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)N(CC1=C(C=C(C=C1)Cl)Cl)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC(=S)N(CC1=C(C=C(C=C1)Cl)Cl)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H22Cl2N2O3S/c1-3-5-19(26)24-21(29)25(13-15-6-9-16(22)12-18(15)23)17-10-7-14(8-11-17)20(27)28-4-2/h6-12H,3-5,13H2,1-2H3,(H,24,26,29)