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

Systemtic Name: ethyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-fluorophenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-fluorophenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-fluorobenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21FN2O2S2 MolecularWeight: 428.542743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O2S2/c1-2-27-21(26)19-13-18(12-15-6-4-3-5-7-15)29-20(19)25-22(28)24-14-16-8-10-17(23)11-9-16/h3-11,13H,2,12,14H2,1H3,(H2,24,25,28)