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

Systemtic Name: methyl 4-ethyl-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H26N4O2S2 MolecularWeight: 394.55464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=C(N(N=C2C)CC)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=C(N(N=C2C)CC)C)C

InChI

InChI=1S/C18H26N4O2S2/c1-7-13-12(5)26-16(15(13)17(23)24-6)20-18(25)19-9-14-10(3)21-22(8-2)11(14)4/h7-9H2,1-6H3,(H2,19,20,25)