3-methyl-2-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-methyl-2-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-methyl-2-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-methyl-2-[[2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-methyl-2-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethyl]thio]-3-methyl-quinazolin-4-one Formula: C22H20N6O4S2 MolecularWeight: 496.562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4S2/c1-25-20(30)15-4-2-3-5-16(15)23-21(25)33-13-19(29)26-8-10-27(11-9-26)22-24-17-7-6-14(28(31)32)12-18(17)34-22/h2-7,12H,8-11,13H2,1H3