3,5-bis(bromanyl)-2-(naphthalen-2-ylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-(naphthalen-2-ylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 3,5-dibromo-2-(naphthalene-2-carbonylcarbamothioylamino)benzoic acid CAS Name: 3,5-dibromo-2-[[[[2-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-(naphthalene-2-carbonylcarbamothioylamino)benzoic acid Traditional Name: 3,5-dibromo-2-(2-naphthoylthiocarbamoylamino)benzoic acid Formula: C19H12Br2N2O3S MolecularWeight: 508.18318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Br)Br

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Br)Br

InChI

InChI=1S/C19H12Br2N2O3S/c20-13-8-14(18(25)26)16(15(21)9-13)22-19(27)23-17(24)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,25,26)(H2,22,23,24,27)