N-(2-methoxy-4-nitro-phenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C18H20N4O5S2 MolecularWeight: 436.5052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S2/c1-27-17-13-14(22(23)24)7-8-16(17)19-18(28)20-9-11-21(12-10-20)29(25,26)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,19,28)