N-[1-oxidanylidene-1-(propylamino)propan-2-yl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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