3,5-bis(bromanyl)-2-(pentanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-(pentanoylcarbamothioylamino)benzoic acid Openeye Name: 3,5-dibromo-2-(pentanoylcarbamothioylamino)benzoic acid CAS Name: 3,5-dibromo-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-(pentanoylcarbamothioylamino)benzoic acid Traditional Name: 3,5-dibromo-2-(valerylthiocarbamoylamino)benzoic acid Formula: C13H14Br2N2O3S MolecularWeight: 438.13486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=C(C=C1C(=O)O)Br)Br

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=C(C=C1C(=O)O)Br)Br

InChI

InChI=1S/C13H14Br2N2O3S/c1-2-3-4-10(18)16-13(21)17-11-8(12(19)20)5-7(14)6-9(11)15/h5-6H,2-4H2,1H3,(H,19,20)(H2,16,17,18,21)