2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C19H11BrI2N2O3S MolecularWeight: 681.08018

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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=C3C(=O)O)I)I

Isomeric SMILES

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)I)I

InChI

InChI=1S/C19H11BrI2N2O3S/c20-14-6-2-3-10-11(14)4-1-5-12(10)17(25)24-19(28)23-16-13(18(26)27)7-9(21)8-15(16)22/h1-8H,(H,26,27)(H2,23,24,25,28)