methyl 2-[(2-chloranylpyridin-3-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranylpyridin-3-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-3-pyridyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloropyridin-3-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-3-pyridyl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H17ClN4O3S2 MolecularWeight: 412.91418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N=CC=C2)Cl)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N=CC=C2)Cl)C(=O)N(C)C

InChI

InChI=1S/C16H17ClN4O3S2/c1-8-10(15(23)24-4)13(26-11(8)14(22)21(2)3)20-16(25)19-9-6-5-7-18-12(9)17/h5-7H,1-4H3,(H2,19,20,25)