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

Systemtic Name: 3,5-bis(bromanyl)-2-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C20H14Br2N2O4S MolecularWeight: 538.20916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Br)Br

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Br)Br

InChI

InChI=1S/C20H14Br2N2O4S/c1-28-16-7-11-5-3-2-4-10(11)6-13(16)18(25)24-20(29)23-17-14(19(26)27)8-12(21)9-15(17)22/h2-9H,1H3,(H,26,27)(H2,23,24,25,29)