(2-methoxy-4-methylsulfanyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-26-18-13-16(27-2)7-8-17(18)19(23)21-11-9-20(10-12-21)14-3-5-15(6-4-14)22(24)25/h3-8,13H,9-12H2,1-2H3