[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-(3,5-dimethylphenyl)methanone Formula: C20H20BrN3OS MolecularWeight: 430.3613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)C

InChI

InChI=1S/C20H20BrN3OS/c1-13-9-14(2)11-15(10-13)19(25)23-5-7-24(8-6-23)20-22-17-4-3-16(21)12-18(17)26-20/h3-4,9-12H,5-8H2,1-2H3