(Z)-but-2-enedioate; 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one

Systemtic Name: (Z)-but-2-enedioate; 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one Openeye Name: (Z)-but-2-enedioate; 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one CAS Name: (Z)-2-butenedioate; 4-(4-methyl-1-piperazinyl)-3,4-dihydro-2H-1-benzothiepin-5-one IUPAC Name: (Z)-but-2-enedioate; 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one Traditional Name: 4-(4-methylpiperazino)-3,4-dihydro-2H-1-benzothiepin-5-one dimaleate Formula: C23H24N2O9S-4 MolecularWeight: 504.50966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCSC3=CC=CC=C3C2=O.C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2C(=O)C3=CC=CC=C3SCC2.C(=C\C(=O)[O-])\C(=O)[O-].C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C15H20N2OS.2C4H4O4/c1-16-7-9-17(10-8-16)13-6-11-19-14-5-3-2-4-12(14)15(13)18;2*5-3(6)1-2-4(7)8/h2-5,13H,6-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/p-4/b;2*2-1-