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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[(1,3-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(1,3-dimethylpyrazol-4-yl)methylthiocarbamoylamino]-4-methyl-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)NCC2=CN(N=C2C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CN(N=C2C)C)C(=O)OC)C

InChI

InChI=1S/C19H27N5O3S2/c1-7-24(8-2)17(25)15-11(3)14(18(26)27-6)16(29-15)21-19(28)20-9-13-10-23(5)22-12(13)4/h10H,7-9H2,1-6H3,(H2,20,21,28)