2-[(4-nitrophenyl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)ethanamide Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-[3-(1-piperidyl)propyl]acetamide CAS Name: 2-[(4-nitrophenyl)methylthio]-N-[3-(1-piperidinyl)propyl]acetamide IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)acetamide Traditional Name: 2-[(4-nitrobenzyl)thio]-N-(3-piperidinopropyl)acetamide Formula: C17H25N3O3S MolecularWeight: 351.4637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O3S/c21-17(18-9-4-12-19-10-2-1-3-11-19)14-24-13-15-5-7-16(8-6-15)20(22)23/h5-8H,1-4,9-14H2,(H,18,21)