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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H31N5O3S2 MolecularWeight: 465.63254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCCN2C(=CC(=N2)C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCCN2C(=CC(=N2)C)C)C(=O)OC)C

InChI

InChI=1S/C21H31N5O3S2/c1-7-25(8-2)19(27)17-15(5)16(20(28)29-6)18(31-17)23-21(30)22-10-9-11-26-14(4)12-13(3)24-26/h12H,7-11H2,1-6H3,(H2,22,23,30)