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

Systemtic Name: ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S2/c1-4-28-21(27)18-14-19(17-9-6-5-7-10-17)30-20(18)24-22(29)23-11-8-12-26-16(3)13-15(2)25-26/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3,(H2,23,24,29)