methyl 4-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(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=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

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

InChI

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