dimethyl 5-[3-(4-bromanylpyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-(4-bromanylpyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(4-bromopyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(4-bromo-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-bromopyrazol-1-yl)propylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-bromopyrazol-1-yl)propylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H19BrN4O4S2 MolecularWeight: 475.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C=C(C=N2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C=C(C=N2)Br)C(=O)OC

InChI

InChI=1S/C16H19BrN4O4S2/c1-9-11(14(22)24-2)13(27-12(9)15(23)25-3)20-16(26)18-5-4-6-21-8-10(17)7-19-21/h7-8H,4-6H2,1-3H3,(H2,18,20,26)