methyl 2-[(1-methylpyrazol-3-yl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-methylpyrazol-3-yl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(1-methylpyrazol-3-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1-methyl-3-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(1-methylpyrazol-3-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-methylpyrazol-3-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)CNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C=CC(=N1)CNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H20N4O2S2/c1-23-9-8-14(22-23)12-20-19(26)21-17-16(18(24)25-2)11-15(27-17)10-13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3,(H2,20,21,26)