4-(1,3-dithiolan-2-yl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[4-(3-ketopiperazino)benzyl]benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H23N3O2S2/c25-19-14-24(10-9-22-19)18-7-1-15(2-8-18)13-23-20(26)16-3-5-17(6-4-16)21-27-11-12-28-21/h1-8,21H,9-14H2,(H,22,25)(H,23,26)