(2-methoxy-5-nitro-phenyl)methyl 4-methylpiperazine-1-carbodithioate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-methylpiperazine-1-carbodithioate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-1-piperazinecarbodithioic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid (2-methoxy-5-nitro-benzyl) ester Formula: C14H19N3O3S2 MolecularWeight: 341.44896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)SCC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CN1CCN(CC1)C(=S)SCC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H19N3O3S2/c1-15-5-7-16(8-6-15)14(21)22-10-11-9-12(17(18)19)3-4-13(11)20-2/h3-4,9H,5-8,10H2,1-2H3