4-oxidanylidene-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-yl-butanamide

Systemtic Name: 4-oxidanylidene-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-yl-butanamide Openeye Name: 4-oxo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(2-thienyl)butanamide CAS Name: 4-oxo-N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: 4-oxo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(2-thienyl)butyramide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCC(=O)C2=CC=CS2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCC(=O)C2=CC=CS2)N3C=CC=N3

InChI

InChI=1S/C20H20N4O3S/c1-14(24-11-4-10-21-24)20(27)23-16-6-2-5-15(13-16)22-19(26)9-8-17(25)18-7-3-12-28-18/h2-7,10-14H,8-9H2,1H3,(H,22,26)(H,23,27)