methyl 3-[(4-fluorophenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-fluorophenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-fluorophenyl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-fluorophenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-fluorobenzyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H15FN2O2S2 MolecularWeight: 374.452303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN2O2S2/c1-23-17(22)16-15(13-4-2-3-5-14(13)25-16)21-18(24)20-10-11-6-8-12(19)9-7-11/h2-9H,10H2,1H3,(H2,20,21,24)