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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)amino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=C(N(N=C2C)C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=C(N(N=C2C)C)C)C(=O)OC)C

InChI

InChI=1S/C19H27N5O3S2/c1-8-24(9-2)17(25)15-10(3)13(18(26)27-7)16(29-15)21-19(28)20-14-11(4)22-23(6)12(14)5/h8-9H2,1-7H3,(H2,20,21,28)