4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]carbonyl-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]carbonyl-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinoyl]-N-phenyl-piperazine-1-carboxamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3S/c1-16-20(17(2)31-26-16)15-32-21-19(9-6-10-24-21)22(29)27-11-13-28(14-12-27)23(30)25-18-7-4-3-5-8-18/h3-10H,11-15H2,1-2H3,(H,25,30)