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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[3-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[3-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[3-(1-pyrazolylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[3-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[3-(pyrazol-1-ylmethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)CN3C=CC=N3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)CN3C=CC=N3)C

InChI

InChI=1S/C20H22N4O2S2/c1-4-16-13(2)28-18(17(16)19(25)26-3)23-20(27)22-15-8-5-7-14(11-15)12-24-10-6-9-21-24/h5-11H,4,12H2,1-3H3,(H2,22,23,27)