ethyl 4-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-[(1-bromo-2-naphthyl)oxy]acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(1-bromo-2-naphthoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C22H19BrN2O4S/c1-2-28-21(27)15-7-10-16(11-8-15)24-22(30)25-19(26)13-29-18-12-9-14-5-3-4-6-17(14)20(18)23/h3-12H,2,13H2,1H3,(H2,24,25,26,30)