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

Systemtic Name: 2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C19H12BrIN2O3S MolecularWeight: 555.18365

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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)I)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrIN2O3S/c20-15-6-2-3-11-12(15)4-1-5-13(11)17(24)23-19(27)22-16-8-7-10(21)9-14(16)18(25)26/h1-9H,(H,25,26)(H2,22,23,24,27)