ethyl 4-(4-fluorophenyl)-2-[(3-methyl-4-nitro-phenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[(3-methyl-4-nitro-phenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[(3-methyl-4-nitro-benzoyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H18FN3O5S2 MolecularWeight: 487.523823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H18FN3O5S2/c1-3-31-21(28)18-16(13-4-7-15(23)8-5-13)11-33-20(18)25-22(32)24-19(27)14-6-9-17(26(29)30)12(2)10-14/h4-11H,3H2,1-2H3,(H2,24,25,27,32)