2-[(phenylmethyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[(phenylmethyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(benzylcarbamothioylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(benzylcarbamothioylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-(benzylthiocarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C16H21N5OS/c1-11-15(12(2)21(3)20-11)19-14(22)10-18-16(23)17-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,19,22)(H2,17,18,23)