5-bromanyl-2-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 5-bromo-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid CAS Name: 5-bromo-2-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid Traditional Name: 5-bromo-2-(1-naphthoylthiocarbamoylamino)benzoic acid Formula: C19H13BrN2O3S MolecularWeight: 429.28712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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