3-[4-[3-(2-nitrophenyl)propyl]piperazin-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[3-(2-nitrophenyl)propyl]piperazin-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[3-(2-nitrophenyl)propyl]piperazin-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[3-(2-nitrophenyl)propyl]-1-piperazinyl]-1,2-benzothiazole IUPAC Name: 3-[4-[3-(2-nitrophenyl)propyl]piperazin-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[3-(2-nitrophenyl)propyl]piperazino]-1,2-benzothiazole Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2[N+](=O)[O-])C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2[N+](=O)[O-])C3=NSC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O2S/c25-24(26)18-9-3-1-6-16(18)7-5-11-22-12-14-23(15-13-22)20-17-8-2-4-10-19(17)27-21-20/h1-4,6,8-10H,5,7,11-15H2