methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[3-(1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(3-pyrazol-1-ylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3S2/c1-11-12(16(24)25-4)14(27-13(11)15(23)21(2)3)20-17(26)18-7-5-9-22-10-6-8-19-22/h6,8,10H,5,7,9H2,1-4H3,(H2,18,20,26)