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

Systemtic Name: ethyl 4-(2-naphthalen-1-ylethanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-[[2-(1-naphthyl)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzoate Traditional Name: 4-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-2-27-21(26)16-10-12-18(13-11-16)23-22(28)24-20(25)14-17-8-5-7-15-6-3-4-9-19(15)17/h3-13H,2,14H2,1H3,(H2,23,24,25,28)