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

Systemtic Name: ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/c1-5-25-14(4)18(13(3)24-25)22-21(28)23-19-16(20(26)27-6-2)12-17(29-19)15-10-8-7-9-11-15/h7-12H,5-6H2,1-4H3,(H2,22,23,28)