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

Systemtic Name: methyl 4-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[4-(2-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24FN3O2S2 MolecularWeight: 421.551863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3F)C

InChI

InChI=1S/C20H24FN3O2S2/c1-4-14-13(2)28-18(17(14)19(25)26-3)22-20(27)24-11-9-23(10-12-24)16-8-6-5-7-15(16)21/h5-8H,4,9-12H2,1-3H3,(H,22,27)