N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[1-(2-methylpropanoyl)-4-piperidyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(1-isobutyryl-4-piperidyl)-2-[(4-nitrophenyl)thio]acetamide Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4S/c1-12(2)17(22)19-9-7-13(8-10-19)18-16(21)11-25-15-5-3-14(4-6-15)20(23)24/h3-6,12-13H,7-11H2,1-2H3,(H,18,21)