ethyl 5-(4-fluorophenyl)-3-(propylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-3-(propylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-3-(propylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-3-[[propylamino(sulfanylidene)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-3-(propylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)-3-(propylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C17H19FN2O2S2 MolecularWeight: 366.473363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(SC(=C1)C2=CC=C(C=C2)F)C(=O)OCC

Isomeric SMILES

CCCNC(=S)NC1=C(SC(=C1)C2=CC=C(C=C2)F)C(=O)OCC

InChI

InChI=1S/C17H19FN2O2S2/c1-3-9-19-17(23)20-13-10-14(11-5-7-12(18)8-6-11)24-15(13)16(21)22-4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,19,20,23)