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

Systemtic Name: methyl 2-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(3-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H17N5O3S2 MolecularWeight: 367.44648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CN(N=C2C(=O)N)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CN(N=C2C(=O)N)C)C(=O)OC

InChI

InChI=1S/C14H17N5O3S2/c1-4-7-5-8(13(21)22-3)12(24-7)17-14(23)16-9-6-19(2)18-10(9)11(15)20/h5-6H,4H2,1-3H3,(H2,15,20)(H2,16,17,23)