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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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