1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(2-hydroxyphenyl)-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(2-hydroxyphenyl)piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2O)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-14(27-16-8-6-15(7-9-16)22(25)26)19(24)21-12-10-20(11-13-21)17-4-2-3-5-18(17)23/h2-9,14,23H,10-13H2,1H3