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

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(tert-butylamino)-2-oxo-ethyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(tert-butylamino)-2-keto-ethyl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-21(2,3)23-18(26)12-22-20(27)16-14-25(13-15-8-5-4-6-9-15)24-19(16)17-10-7-11-28-17/h4-11,14H,12-13H2,1-3H3,(H,22,27)(H,23,26)