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

Systemtic Name: methyl 2-[(3-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-carbamoyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(3-carbamoyl-1-ethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3-carbamoyl-1-ethyl-pyrazol-4-yl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H22N6O4S2 MolecularWeight: 438.52438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O4S2/c1-6-23-7-9(11(21-23)13(18)24)19-17(28)20-14-10(16(26)27-5)8(2)12(29-14)15(25)22(3)4/h7H,6H2,1-5H3,(H2,18,24)(H2,19,20,28)