butyl 4-[[1-acetamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate

Systemtic Name: butyl 4-[[1-acetamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate Openeye Name: butyl 4-[(1-acetamido-2,2,2-trichloro-ethyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-acetamido-2,2,2-trichloroethyl)amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]benzoate Traditional Name: 4-[(1-acetamido-2,2,2-trichloro-ethyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C16H20Cl3N3O3S MolecularWeight: 440.7723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C

InChI

InChI=1S/C16H20Cl3N3O3S/c1-3-4-9-25-13(24)11-5-7-12(8-6-11)21-15(26)22-14(16(17,18)19)20-10(2)23/h5-8,14H,3-4,9H2,1-2H3,(H,20,23)(H2,21,22,26)