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

Systemtic Name: ethyl 5-methyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-(3-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[3-(3-methylpyrazol-1-yl)propylthiocarbamoylamino]-4-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(=C1C2=CC=CC=C2)C)NC(=S)NCCCN3C=CC(=N3)C

Isomeric SMILES

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

InChI

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