methyl 2-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(3-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H20N6O4S2 MolecularWeight: 424.4978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2C(=O)N)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2C(=O)N)C)C(=O)N(C)C

InChI

InChI=1S/C16H20N6O4S2/c1-7-9(15(25)26-5)13(28-11(7)14(24)21(2)3)19-16(27)18-8-6-22(4)20-10(8)12(17)23/h6H,1-5H3,(H2,17,23)(H2,18,19,27)