4-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(5-bromo-1-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C19H13BrN2O3S MolecularWeight: 429.28712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O

InChI

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