2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-(4-thiazol-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-(2-thiazolyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-(4-thiazol-2-ylpiperazino)ethanone Formula: C17H20BrN3OS2 MolecularWeight: 426.3942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H20BrN3OS2/c1-12-10-15(13(2)9-14(12)18)24-11-16(22)20-4-6-21(7-5-20)17-19-3-8-23-17/h3,8-10H,4-7,11H2,1-2H3