[4-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [4-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [4-[[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenyl-methanone Formula: C25H20BrN3O2S MolecularWeight: 506.4142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20BrN3O2S/c26-20-10-11-21-22(16-20)32-25(27-21)29-14-12-28(13-15-29)24(31)19-8-6-18(7-9-19)23(30)17-4-2-1-3-5-17/h1-11,16H,12-15H2