(4-methylsulfanylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(methylthio)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(methylthio)phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-25-17-8-2-14(3-9-17)18(22)20-12-10-19(11-13-20)15-4-6-16(7-5-15)21(23)24/h2-9H,10-13H2,1H3