methyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(4-fluorophenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-fluorophenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-fluorobenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H19FN2O2S2 MolecularWeight: 414.516163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O2S2/c1-26-20(25)18-12-17(11-14-5-3-2-4-6-14)28-19(18)24-21(27)23-13-15-7-9-16(22)10-8-15/h2-10,12H,11,13H2,1H3,(H2,23,24,27)