2-[(4-nitrophenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-nitrophenyl)methylthio]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-nitrobenzyl)thio]-N-[4-(pyrrolidinomethyl)benzyl]acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3S/c25-21(16-28-15-19-7-9-20(10-8-19)24(26)27)22-13-17-3-5-18(6-4-17)14-23-11-1-2-12-23/h3-10H,1-2,11-16H2,(H,22,25)