3-[[2,2,2-tris(chloranyl)-1-[(2-methoxyphenyl)carbonylamino]ethyl]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[2,2,2-tris(chloranyl)-1-[(2-methoxyphenyl)carbonylamino]ethyl]carbamothioylamino]benzoic acid Openeye Name: 3-[[2,2,2-trichloro-1-[(2-methoxybenzoyl)amino]ethyl]carbamothioylamino]benzoic acid CAS Name: 3-[[sulfanylidene-[[2,2,2-trichloro-1-[[(2-methoxyphenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid IUPAC Name: 3-[[2,2,2-trichloro-1-[(2-methoxybenzoyl)amino]ethyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2,2,2-trichloro-1-(o-anisoylamino)ethyl]thiocarbamoylamino]benzoic acid Formula: C18H16Cl3N3O4S MolecularWeight: 476.76134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H16Cl3N3O4S/c1-28-13-8-3-2-7-12(13)14(25)23-16(18(19,20)21)24-17(29)22-11-6-4-5-10(9-11)15(26)27/h2-9,16H,1H3,(H,23,25)(H,26,27)(H2,22,24,29)