N-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[(1S)-2-(dimethylamino)-1-phenylethyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(1S)-2-(dimethylamino)-1-phenylethyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=CC=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C[C@H](C1=CC=CC=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-20(2)12-17(14-6-4-3-5-7-14)19-18(22)13-25-16-10-8-15(9-11-16)21(23)24/h3-11,17H,12-13H2,1-2H3,(H,19,22)/t17-/m1/s1