methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-ethyl-3-[(2-methoxyethylamino)-oxomethyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H25N5O4S2 MolecularWeight: 487.595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCCOC)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCCOC)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H25N5O4S2/c1-4-27-13-16(18(26-27)19(28)23-10-11-30-2)24-22(32)25-20-15(21(29)31-3)12-17(33-20)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,23,28)(H2,24,25,32)