4-(1,3-dithiolan-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C3SCCS3)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C3SCCS3)N4C=CC=N4

InChI

InChI=1S/C22H22N4O2S2/c1-15(26-11-3-10-23-26)20(27)24-18-4-2-5-19(14-18)25-21(28)16-6-8-17(9-7-16)22-29-12-13-30-22/h2-11,14-15,22H,12-13H2,1H3,(H,24,27)(H,25,28)