methyl 4-(2-naphthalen-1-ylethanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2-naphthalen-1-ylethanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-[[2-(1-naphthyl)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

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