ethyl 2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-fluorobenzyl)pyrazol-4-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H23FN4O2S2 MolecularWeight: 494.604123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CN(N=C3)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CN(N=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H23FN4O2S2/c1-3-32-24(31)22-21(17-9-5-4-6-10-17)16(2)34-23(22)29-25(33)28-19-13-27-30(15-19)14-18-11-7-8-12-20(18)26/h4-13,15H,3,14H2,1-2H3,(H2,28,29,33)