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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O2S2/c1-2-26-20(25)18-13-17(12-14-6-4-3-5-7-14)28-19(18)24-21(27)23-16-10-8-15(22)9-11-16/h3-11,13H,2,12H2,1H3,(H2,23,24,27)