ethyl 4,5-dimethyl-2-(2-naphthalen-1-ylethanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(2-naphthalen-1-ylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(1-naphthyl)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H22N2O3S2/c1-4-27-21(26)19-13(2)14(3)29-20(19)24-22(28)23-18(25)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,4,12H2,1-3H3,(H2,23,24,25,28)