2-[(4-nitrophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-[[4-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-[(4-nitrophenyl)methylthio]-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-[(4-nitrobenzyl)thio]-N-(4-piperidinobenzyl)acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3S/c25-21(16-28-15-18-6-10-20(11-7-18)24(26)27)22-14-17-4-8-19(9-5-17)23-12-2-1-3-13-23/h4-11H,1-3,12-16H2,(H,22,25)