3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(5-bromo-1-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C19H13BrN2O3S MolecularWeight: 429.28712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C(=O)O

InChI

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