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

Systemtic Name: butyl 4-[[1-benzamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate Openeye Name: butyl 4-[(1-benzamido-2,2,2-trichloro-ethyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-benzamido-2,2,2-trichloroethyl)amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-benzamido-2,2,2-trichloroethyl)carbamothioylamino]benzoate Traditional Name: 4-[(1-benzamido-2,2,2-trichloro-ethyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C21H22Cl3N3O3S MolecularWeight: 502.84168

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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)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22Cl3N3O3S/c1-2-3-13-30-18(29)15-9-11-16(12-10-15)25-20(31)27-19(21(22,23)24)26-17(28)14-7-5-4-6-8-14/h4-12,19H,2-3,13H2,1H3,(H,26,28)(H2,25,27,31)