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

Systemtic Name: methyl 2-[3-(4-chloranylpyrazol-1-yl)propylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-chloropyrazol-1-yl)propylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chloro-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-chloropyrazol-1-yl)propylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-chloropyrazol-1-yl)propylthiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H26ClN5O3S2 MolecularWeight: 472.02444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN5O3S2/c1-5-24(6-2)17(26)15-12(3)14(18(27)28-4)16(30-15)23-19(29)21-8-7-9-25-11-13(20)10-22-25/h10-11H,5-9H2,1-4H3,(H2,21,23,29)