N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-(homoveratrylthiocarbamoyl)-1-methyl-pyrazole-3-carboxamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H20N4O3S/c1-20-9-7-12(19-20)15(21)18-16(24)17-8-6-11-4-5-13(22-2)14(10-11)23-3/h4-5,7,9-10H,6,8H2,1-3H3,(H2,17,18,21,24)