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

Systemtic Name: ethyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-fluorobenzyl)pyrazol-3-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=NN(C=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)F

InChI

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