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

Systemtic Name: methyl 2-[(5-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(5-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(5-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H15N5O3S2 MolecularWeight: 353.4199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2)C)C(=O)N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2)C)C(=O)N)C(=O)OC

InChI

InChI=1S/C13H15N5O3S2/c1-6-4-7(12(20)21-3)11(23-6)17-13(22)16-8-5-15-18(2)9(8)10(14)19/h4-5H,1-3H3,(H2,14,19)(H2,16,17,22)