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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-(homoveratrylthiocarbamoylamino)-1-methyl-pyrazole-3-carboxamide Formula: C16H21N5O3S MolecularWeight: 363.43464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S/c1-21-9-11(14(20-21)15(17)22)19-16(25)18-7-6-10-4-5-12(23-2)13(8-10)24-3/h4-5,8-9H,6-7H2,1-3H3,(H2,17,22)(H2,18,19,25)