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

Systemtic Name: diethyl 5-[[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H22BrClN4O4S2 MolecularWeight: 585.92148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22BrClN4O4S2/c1-4-31-20(29)16-12(3)17(21(30)32-5-2)34-19(16)26-22(33)25-18-15(23)11-28(27-18)10-13-6-8-14(24)9-7-13/h6-9,11H,4-5,10H2,1-3H3,(H2,25,26,27,33)