ethyl 2-[[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H24BrN5O3S2 MolecularWeight: 550.49166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C22H24BrN5O3S2/c1-5-31-21(30)18-17(15-9-7-6-8-10-15)14(4)33-20(18)24-22(32)26-25-16(29)11-28-13(3)19(23)12(2)27-28/h6-10H,5,11H2,1-4H3,(H,25,29)(H2,24,26,32)