(2S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-N-[2-(diethylaminomethyl)benzyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O3S/c1-4-23(5-2)15-18-9-7-6-8-17(18)14-22-21(25)16(3)28-20-12-10-19(11-13-20)24(26)27/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,25)/t16-/m0/s1