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

Systemtic Name: methyl 2-[3-(4-chloranylpyrazol-1-yl)propylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-chloropyrazol-1-yl)propylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chloro-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-chloropyrazol-1-yl)propylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-chloropyrazol-1-yl)propylthiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H22ClN5O3S2 MolecularWeight: 443.97128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C=C(C=N2)Cl)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C=C(C=N2)Cl)C(=O)N(C)C

InChI

InChI=1S/C17H22ClN5O3S2/c1-10-12(16(25)26-4)14(28-13(10)15(24)22(2)3)21-17(27)19-6-5-7-23-9-11(18)8-20-23/h8-9H,5-7H2,1-4H3,(H2,19,21,27)