N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-(phenylsulfanylmethyl)benzamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-(phenylsulfanylmethyl)benzamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-4-(phenylsulfanylmethyl)benzamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-[(phenylthio)methyl]benzamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-4-(phenylsulfanylmethyl)benzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-4-[(phenylthio)methyl]benzamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c28-22-15-27(13-12-24-22)21-11-10-19(14-25-21)26-23(29)18-8-6-17(7-9-18)16-30-20-4-2-1-3-5-20/h1-11,14H,12-13,15-16H2,(H,24,28)(H,26,29)