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

Systemtic Name: methyl 2-[[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-5-methyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/c1-5-25-14(2)16(12-22-25)13-24(3)21(28)23-19-17(20(26)27-4)11-18(29-19)15-9-7-6-8-10-15/h6-12H,5,13H2,1-4H3,(H,23,28)