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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H25N5O3S2 MolecularWeight: 423.5528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C18H25N5O3S2/c1-7-23-9-12(11(3)21-23)8-19-18(27)20-15-13(17(25)26-6)10(2)14(28-15)16(24)22(4)5/h9H,7-8H2,1-6H3,(H2,19,20,27)