ethyl 2-[(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiocarbamoylamino]-5-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(=C1)C2=CC=CC=C2)NC(=S)NC(CN3C=CC=N3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(CN3C=CC=N3)C(C)(C)C

InChI

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