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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)amino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)C)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)C)C)C(=O)N(C)C

InChI

InChI=1S/C17H23N5O3S2/c1-8-11(16(24)25-7)14(27-13(8)15(23)21(4)5)19-17(26)18-12-9(2)20-22(6)10(12)3/h1-7H3,(H2,18,19,26)