methyl 4-(4-fluorophenyl)-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-(isopropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-(isopropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H17FN2O2S2 MolecularWeight: 352.446783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC1=C(C(=CS1)C2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC(C)NC(=S)NC1=C(C(=CS1)C2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C16H17FN2O2S2/c1-9(2)18-16(22)19-14-13(15(20)21-3)12(8-23-14)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H2,18,19,22)