N-(1-azanyl-1-oxidanylidene-propan-2-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrol-2-yl)carbonyl-piperidine-2-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-propan-2-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrol-2-yl)carbonyl-piperidine-2-carboxamide Openeye Name: N-(2-amino-1-methyl-2-oxo-ethyl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxamide CAS Name: N-(1-amino-1-oxopropan-2-yl)-4-[(4-fluorophenyl)methylthio]-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: N-(1-amino-1-oxopropan-2-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-1-methyl-ethyl)-4-[(4-fluorobenzyl)thio]-1-(1-methylpyrrole-2-carbonyl)pipecolinamide Formula: C22H27FN4O3S MolecularWeight: 446.538183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1CC(CCN1C(=O)C2=CC=CN2C)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N)NC(=O)C1CC(CCN1C(=O)C2=CC=CN2C)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN4O3S/c1-14(20(24)28)25-21(29)19-12-17(31-13-15-5-7-16(23)8-6-15)9-11-27(19)22(30)18-4-3-10-26(18)2/h3-8,10,14,17,19H,9,11-13H2,1-2H3,(H2,24,28)(H,25,29)