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

Systemtic Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H24N4O2S2 MolecularWeight: 380.52806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2S2/c1-10-9-11(2)21(20-10)8-6-7-18-17(24)19-15-14(16(22)23-5)12(3)13(4)25-15/h9H,6-8H2,1-5H3,(H2,18,19,24)