methyl 2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoate Traditional Name: 2-[(5-bromo-1-naphthoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

InChI

InChI=1S/C20H15BrN2O3S/c1-26-19(25)15-6-2-3-11-17(15)22-20(27)23-18(24)14-9-4-8-13-12(14)7-5-10-16(13)21/h2-11H,1H3,(H2,22,23,24,27)