N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[3-methyl-2-(4-methyl-1-piperidyl)butyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[3-methyl-2-(4-methyl-1-piperidinyl)butyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[3-methyl-2-(4-methylpiperidino)butyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C19H29N3O3S/c1-14(2)18(21-10-8-15(3)9-11-21)12-20-19(23)13-26-17-6-4-16(5-7-17)22(24)25/h4-7,14-15,18H,8-13H2,1-3H3,(H,20,23)