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

Systemtic Name: methyl 2-[[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-bromo-1-[(4-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-bromo-1-(4-fluorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H18BrFN4O2S2 MolecularWeight: 545.447023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3Br)CC4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3Br)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H18BrFN4O2S2/c1-31-22(30)17-11-19(15-5-3-2-4-6-15)33-21(17)27-23(32)26-20-18(24)13-29(28-20)12-14-7-9-16(25)10-8-14/h2-11,13H,12H2,1H3,(H2,26,27,28,32)