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

Systemtic Name: diethyl 5-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H27BrN4O4S2 MolecularWeight: 579.52958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C24H27BrN4O4S2/c1-6-32-22(30)18-13(3)20(23(31)33-7-2)35-21(18)27-24(34)26-19-14(4)28-29(15(19)5)12-16-8-10-17(25)11-9-16/h8-11H,6-7,12H2,1-5H3,(H2,26,27,34)