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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CN3C=CC=N3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CN3C=CC=N3)C

InChI

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