4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[4-(3-oxo-1-piperazinyl)phenyl]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[4-(3-ketopiperazino)phenyl]benzamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H23N5O2S/c31-23-15-30(14-13-26-23)20-11-9-19(10-12-20)27-24(32)18-7-5-17(6-8-18)16-33-25-28-21-3-1-2-4-22(21)29-25/h1-12H,13-16H2,(H,26,31)(H,27,32)(H,28,29)