ethyl 4-(4-fluorophenyl)-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[3-(methylthio)propylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C18H21FN2O2S3 MolecularWeight: 412.564943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NCCCSC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NCCCSC

InChI

InChI=1S/C18H21FN2O2S3/c1-3-23-17(22)15-14(12-5-7-13(19)8-6-12)11-26-16(15)21-18(24)20-9-4-10-25-2/h5-8,11H,3-4,9-10H2,1-2H3,(H2,20,21,24)