N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-[(2-keto-2-pyrrolidino-ethyl)thio]benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H25N5O3S/c28-20-14-27(12-9-23-20)19-8-7-16(13-24-19)25-22(30)17-5-1-2-6-18(17)31-15-21(29)26-10-3-4-11-26/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,23,28)(H,25,30)