dimethyl 5-[[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[4-bromo-1-[(4-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-bromo-1-(4-fluorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H18BrFN4O4S2 MolecularWeight: 541.413723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H18BrFN4O4S2/c1-10-14(18(27)29-2)17(32-15(10)19(28)30-3)24-20(31)23-16-13(21)9-26(25-16)8-11-4-6-12(22)7-5-11/h4-7,9H,8H2,1-3H3,(H2,23,24,25,31)