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

Systemtic Name: ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCCCN3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCCCN3C(=CC(=N3)C)C

InChI

InChI=1S/C23H28N4O2S2/c1-5-29-22(28)20-19(18-10-7-6-8-11-18)17(4)31-21(20)25-23(30)24-12-9-13-27-16(3)14-15(2)26-27/h6-8,10-11,14H,5,9,12-13H2,1-4H3,(H2,24,25,30)