2-methyl-1-[4-[2-(4-nitrophenyl)sulfanylethanoyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[2-(4-nitrophenyl)sulfanylethanoyl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[2-(4-nitrophenyl)sulfanylacetyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[2-[(4-nitrophenyl)thio]-1-oxoethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[2-(4-nitrophenyl)sulfanylacetyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[2-[(4-nitrophenyl)thio]acetyl]piperazino]propan-1-one Formula: C16H21N3O4S MolecularWeight: 351.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4S/c1-12(2)16(21)18-9-7-17(8-10-18)15(20)11-24-14-5-3-13(4-6-14)19(22)23/h3-6,12H,7-11H2,1-2H3