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

Systemtic Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C

InChI

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