3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyridine-4-carboxamide

Systemtic Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyridine-4-carboxamide Openeye Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyridine-4-carboxamide CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-4-pyridinecarboxamide IUPAC Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyridine-4-carboxamide Traditional Name: 3-cyano-6-cyclopropyl-N-[4-(3-ketopiperazino)benzyl]-2-(methylthio)isonicotinamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)C#N

InChI

InChI=1S/C22H23N5O2S/c1-30-22-18(11-23)17(10-19(26-22)15-4-5-15)21(29)25-12-14-2-6-16(7-3-14)27-9-8-24-20(28)13-27/h2-3,6-7,10,15H,4-5,8-9,12-13H2,1H3,(H,24,28)(H,25,29)