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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-[(4-nitrophenyl)methylthio]-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-[(4-nitrobenzyl)thio]-N-(3-pyrrolidinopropyl)acetamide Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O3S/c20-16(17-8-3-11-18-9-1-2-10-18)13-23-12-14-4-6-15(7-5-14)19(21)22/h4-7H,1-3,8-13H2,(H,17,20)