3,5-bis(bromanyl)-2-(4-chloranylbutanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-(4-chloranylbutanoylcarbamothioylamino)benzoic acid Openeye Name: 3,5-dibromo-2-(4-chlorobutanoylcarbamothioylamino)benzoic acid CAS Name: 3,5-dibromo-2-[[[(4-chloro-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-(4-chlorobutanoylcarbamothioylamino)benzoic acid Traditional Name: 3,5-dibromo-2-(4-chlorobutanoylthiocarbamoylamino)benzoic acid Formula: C12H11Br2ClN2O3S MolecularWeight: 458.55334

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)NC(=S)NC(=O)CCCCl)C(=O)O)Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)NC(=S)NC(=O)CCCCl)C(=O)O)Br

InChI

InChI=1S/C12H11Br2ClN2O3S/c13-6-4-7(11(19)20)10(8(14)5-6)17-12(21)16-9(18)2-1-3-15/h4-5H,1-3H2,(H,19,20)(H2,16,17,18,21)