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

Systemtic Name: methyl 5-ethyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(1-pyrazolylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3C=CC=N3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3C=CC=N3)C(=O)OC

InChI

InChI=1S/C19H20N4O2S2/c1-3-15-11-16(18(24)25-2)17(27-15)22-19(26)21-14-7-5-13(6-8-14)12-23-10-4-9-20-23/h4-11H,3,12H2,1-2H3,(H2,21,22,26)