5-bromanyl-2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(5-bromo-1-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C19H12Br2N2O3S MolecularWeight: 508.18318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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