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

Systemtic Name: 5-bromanyl-2-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H15BrN2O4S/c1-27-17-9-12-5-3-2-4-11(12)8-15(17)18(24)23-20(28)22-16-7-6-13(21)10-14(16)19(25)26/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)