methyl 2-(2-naphthalen-1-ylethanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(2-naphthalen-1-ylethanoylcarbamothioylamino)benzoate Openeye Name: methyl 2-[[2-(1-naphthyl)acetyl]carbamothioylamino]benzoate CAS Name: 2-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzoate Traditional Name: 2-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H18N2O3S/c1-26-20(25)17-11-4-5-12-18(17)22-21(27)23-19(24)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3,(H2,22,23,24,27)