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

Systemtic Name: diethyl 5-[[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H25BrN4O4S2 MolecularWeight: 565.503

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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4O4S2/c1-5-31-21(29)17-14(4)18(22(30)32-6-2)34-20(17)26-23(33)25-19-16(24)12-28(27-19)11-15-9-7-13(3)8-10-15/h7-10,12H,5-6,11H2,1-4H3,(H2,25,26,27,33)