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

Systemtic Name: ethyl 2-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(1-ethyl-3-methyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C(C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C(C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H28N4O2S2/c1-5-27-14-20(16(4)26-27)15(3)24-23(30)25-21-19(22(28)29-6-2)13-18(31-21)12-17-10-8-7-9-11-17/h7-11,13-15H,5-6,12H2,1-4H3,(H2,24,25,30)