2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-butyl-5H-phenanthridin-6-one

Systemtic Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-butyl-5H-phenanthridin-6-one Openeye Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-butyl-5H-phenanthridin-6-one CAS Name: 2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-1-butyl-5H-phenanthridin-6-one IUPAC Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-butyl-5H-phenanthridin-6-one Traditional Name: 2-[4-(1,2-benzothiazol-3-yl)piperazino]-1-butyl-5H-phenanthridin-6-one Formula: C28H28N4OS MolecularWeight: 468.61312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C3=CC=CC=C3C(=O)N2)N4CCN(CC4)C5=NSC6=CC=CC=C65

Isomeric SMILES

CCCCC1=C(C=CC2=C1C3=CC=CC=C3C(=O)N2)N4CCN(CC4)C5=NSC6=CC=CC=C65

InChI

InChI=1S/C28H28N4OS/c1-2-3-8-21-24(14-13-23-26(21)19-9-4-5-10-20(19)28(33)29-23)31-15-17-32(18-16-31)27-22-11-6-7-12-25(22)34-30-27/h4-7,9-14H,2-3,8,15-18H2,1H3,(H,29,33)