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

Systemtic Name: dimethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C

InChI

InChI=1S/C18H24N4O4S2/c1-10-9-11(2)22(21-10)8-6-7-19-18(27)20-15-13(16(23)25-4)12(3)14(28-15)17(24)26-5/h9H,6-8H2,1-5H3,(H2,19,20,27)