2-(phenethylcarbamothioylamino)-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-(phenethylcarbamothioylamino)-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(phenethylcarbamothioylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[(phenethylamino)-sulfanylidenemethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(phenethylcarbamothioylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-(phenethylthiocarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C17H23N5OS MolecularWeight: 345.46242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H23N5OS/c1-12-16(13(2)22(3)21-12)20-15(23)11-19-17(24)18-10-9-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,20,23)(H2,18,19,24)