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

Systemtic Name: dimethyl 5-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H23BrN4O4S2 MolecularWeight: 503.43362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN4O4S2/c1-9-12(16(24)26-4)15(29-14(9)17(25)27-5)21-18(28)20-7-6-8-23-11(3)13(19)10(2)22-23/h6-8H2,1-5H3,(H2,20,21,28)