methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[(1-methyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(1-methylpyrazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)C)C(=O)OC)C

InChI

InChI=1S/C17H23N5O3S2/c1-6-22(7-2)15(23)13-10(3)12(16(24)25-5)14(27-13)19-17(26)18-11-8-9-21(4)20-11/h8-9H,6-7H2,1-5H3,(H2,18,19,20,26)