ethyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H20ClFN4O2S2 MolecularWeight: 515.022603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C24H20ClFN4O2S2/c1-2-32-23(31)16-13-20(15-7-4-3-5-8-15)34-22(16)28-24(33)27-21-11-12-30(29-21)14-17-18(25)9-6-10-19(17)26/h3-13H,2,14H2,1H3,(H2,27,28,29,33)