5-bromanyl-2-(naphthalen-2-ylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(naphthalen-2-ylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 5-bromo-2-(naphthalene-2-carbonylcarbamothioylamino)benzoic acid CAS Name: 5-bromo-2-[[[[2-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-(naphthalene-2-carbonylcarbamothioylamino)benzoic acid Traditional Name: 5-bromo-2-(2-naphthoylthiocarbamoylamino)benzoic acid Formula: C19H13BrN2O3S MolecularWeight: 429.28712

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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=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H13BrN2O3S/c20-14-7-8-16(15(10-14)18(24)25)21-19(26)22-17(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,24,25)(H2,21,22,23,26)