4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-2-ethylpyrazole-3-carboxamide Traditional Name: 2-ethyl-4-(homoveratrylthiocarbamoylamino)pyrazole-3-carboxamide Formula: C17H23N5O3S MolecularWeight: 377.46122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C(=O)N

InChI

InChI=1S/C17H23N5O3S/c1-4-22-15(16(18)23)12(10-20-22)21-17(26)19-8-7-11-5-6-13(24-2)14(9-11)25-3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,18,23)(H2,19,21,26)