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

Systemtic Name: 3,5-bis(bromanyl)-2-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H11Br2ClN2O3S MolecularWeight: 506.59614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Cl

InChI

InChI=1S/C16H11Br2ClN2O3S/c17-9-6-11(15(23)24)14(12(18)7-9)21-16(25)20-13(22)5-8-1-3-10(19)4-2-8/h1-4,6-7H,5H2,(H,23,24)(H2,20,21,22,25)