methyl 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(1,5-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(1,5-dimethylpyrazol-4-yl)methylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H20N4O2S2 MolecularWeight: 352.4749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=C(N(N=C2)C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=C(N(N=C2)C)C)C(=O)OC

InChI

InChI=1S/C15H20N4O2S2/c1-5-11-6-12(14(20)21-4)13(23-11)18-15(22)16-7-10-8-17-19(3)9(10)2/h6,8H,5,7H2,1-4H3,(H2,16,18,22)