2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H23N5O3S/c1-15-11-17(26-30-15)14-31-22-19(3-2-8-24-22)21(29)25-12-16-4-6-18(7-5-16)27-10-9-23-20(28)13-27/h2-8,11H,9-10,12-14H2,1H3,(H,23,28)(H,25,29)