1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenoxy-propan-1-one

Systemtic Name: 1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenoxy-propan-1-one Openeye Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenoxy-propan-1-one CAS Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-phenoxy-1-propanone IUPAC Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-1-one Traditional Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-3-phenoxy-propan-1-one Formula: C20H20BrN3O2S MolecularWeight: 446.3607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C20H20BrN3O2S/c21-15-6-7-17-18(14-15)27-20(22-17)24-11-9-23(10-12-24)19(25)8-13-26-16-4-2-1-3-5-16/h1-7,14H,8-13H2