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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=C(S2)C)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=C(S2)C)C(=O)OC

InChI

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