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

Systemtic Name: methyl 4-(2-naphthalen-2-yloxyethanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-[[2-(2-naphthyloxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-naphthalen-2-yloxyacetyl)carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-naphthoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-26-20(25)15-6-9-17(10-7-15)22-21(28)23-19(24)13-27-18-11-8-14-4-2-3-5-16(14)12-18/h2-12H,13H2,1H3,(H2,22,23,24,28)