methyl 5-(dimethylcarbamoyl)-2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[(1-ethyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[(1-ethylpyrazol-3-yl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S2/c1-6-21-8-7-10(19-21)17-16(25)18-13-11(15(23)24-5)9(2)12(26-13)14(22)20(3)4/h7-8H,6H2,1-5H3,(H2,17,18,19,25)