ethyl 4-(2-naphthalen-2-yloxyethanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(2-naphthalen-2-yloxyethanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-[[2-(2-naphthyloxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-naphthalen-2-yloxyacetyl)carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-naphthoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H20N2O4S/c1-2-27-21(26)16-7-10-18(11-8-16)23-22(29)24-20(25)14-28-19-12-9-15-5-3-4-6-17(15)13-19/h3-13H,2,14H2,1H3,(H2,23,24,25,29)