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

Systemtic Name: ethyl 5-methyl-2-(2-naphthalen-1-ylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-(1-naphthyl)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S2/c1-3-26-20(25)17-11-13(2)28-19(17)23-21(27)22-18(24)12-15-9-6-8-14-7-4-5-10-16(14)15/h4-11H,3,12H2,1-2H3,(H2,22,23,24,27)