N-[2-(diethylamino)-2-phenyl-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(diethylamino)-2-phenyl-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[2-(diethylamino)-2-phenyl-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[2-(diethylamino)-2-phenylethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[2-(diethylamino)-2-phenylethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[2-(diethylamino)-2-phenyl-ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(CNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

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