4-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(5-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl]-2-oxidanyl-pentanamide

Systemtic Name: 4-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(5-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl]-2-oxidanyl-pentanamide Openeye Name: 2-hydroxy-4-methyl-N-[3-methylsulfanyl-1-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]propyl]pentanamide CAS Name: 2-hydroxy-4-methyl-N-[4-(methylthio)-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl]pentanamide IUPAC Name: 2-hydroxy-4-methyl-N-[4-methylsulfanyl-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl]pentanamide Traditional Name: 2-hydroxy-4-methyl-N-[3-(methylthio)-1-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]propyl]valeramide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)NC1=NNC(=C1)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)NC1=NNC(=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C20H28N4O3S/c1-13(2)11-17(25)20(27)21-15(9-10-28-3)19(26)22-18-12-16(23-24-18)14-7-5-4-6-8-14/h4-8,12-13,15,17,25H,9-11H2,1-3H3,(H,21,27)(H2,22,23,24,26)