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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC)C

InChI

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