2-[2-nitro-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[2-nitro-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[2-nitro-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[2-nitro-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]thio]-1,3-benzothiazole IUPAC Name: 2-[2-nitro-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[2-nitro-4-[[4-(2-pyrimidyl)piperazino]methyl]phenyl]thio]-1,3-benzothiazole Formula: C22H20N6O2S2 MolecularWeight: 464.5632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C5=NC=CC=N5

InChI

InChI=1S/C22H20N6O2S2/c29-28(30)18-14-16(15-26-10-12-27(13-11-26)21-23-8-3-9-24-21)6-7-20(18)32-22-25-17-4-1-2-5-19(17)31-22/h1-9,14H,10-13,15H2