3,5-bis(bromanyl)-2-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]benzoic acid Formula: C16H11Br2ClN2O3S2 MolecularWeight: 538.66114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Cl

InChI

InChI=1S/C16H11Br2ClN2O3S2/c17-8-5-11(15(23)24)14(12(18)6-8)21-16(25)20-13(22)7-26-10-3-1-9(19)2-4-10/h1-6H,7H2,(H,23,24)(H2,20,21,22,25)