N,N'-bis(3-methylbutyl)-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]propanediamide

Systemtic Name: N,N'-bis(3-methylbutyl)-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]propanediamide Openeye Name: N,N'-diisopentyl-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]propanediamide CAS Name: N,N'-bis(3-methylbutyl)-2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]propanediamide IUPAC Name: N,N'-bis(3-methylbutyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]propanediamide Traditional Name: N,N'-diisoamyl-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]malonamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C(=O)NCCC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C(=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C(=O)NCCC(C)C

InChI

InChI=1S/C27H34N4O2S/c1-19(2)12-14-28-26(32)23(27(33)29-15-13-20(3)4)17-21-18-31(22-9-6-5-7-10-22)30-25(21)24-11-8-16-34-24/h5-11,16-20H,12-15H2,1-4H3,(H,28,32)(H,29,33)