N-[2-(2-methylpropanoylamino)ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(2-methylpropanoylamino)ethyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(2-methylpropanoylamino)ethyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(isobutyrylamino)ethyl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-15(2)20(26)22-10-11-23-21(27)17-14-25(13-16-7-4-3-5-8-16)24-19(17)18-9-6-12-28-18/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,22,26)(H,23,27)