ethyl 2-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24FN3O2S2 MolecularWeight: 469.594663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H24FN3O2S2/c1-2-30-23(29)18-16-21(17-8-4-3-5-9-17)32-22(18)26-24(31)28-14-12-27(13-15-28)20-11-7-6-10-19(20)25/h3-11,16H,2,12-15H2,1H3,(H,26,31)