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

Systemtic Name: methyl 2-[[1-benzamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate Openeye Name: methyl 2-[(1-benzamido-2,2,2-trichloro-ethyl)carbamothioylamino]benzoate CAS Name: 2-[[[(1-benzamido-2,2,2-trichloroethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-benzamido-2,2,2-trichloroethyl)carbamothioylamino]benzoate Traditional Name: 2-[(1-benzamido-2,2,2-trichloro-ethyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H16Cl3N3O3S MolecularWeight: 460.76194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H16Cl3N3O3S/c1-27-15(26)12-9-5-6-10-13(12)22-17(28)24-16(18(19,20)21)23-14(25)11-7-3-2-4-8-11/h2-10,16H,1H3,(H,23,25)(H2,22,24,28)