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

Systemtic Name: 3,5-bis(bromanyl)-2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(5-bromo-1-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C19H11Br3N2O3S MolecularWeight: 587.07924

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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)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H11Br3N2O3S/c20-9-7-13(18(26)27)16(15(22)8-9)23-19(28)24-17(25)12-5-1-4-11-10(12)3-2-6-14(11)21/h1-8H,(H,26,27)(H2,23,24,25,28)