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

Systemtic Name: ethyl 5-ethyl-2-(2-naphthalen-1-ylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(1-naphthyl)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-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:

CCC1=CC(=C(S1)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)C(=O)OCC

InChI

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