2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[2-(4-methyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[2-(4-methylpiperazino)phenyl]acetamide Formula: C21H26BrN3OS MolecularWeight: 448.41964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=CC=C2N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=CC=C2N3CCN(CC3)C

InChI

InChI=1S/C21H26BrN3OS/c1-15-13-20(16(2)12-17(15)22)27-14-21(26)23-18-6-4-5-7-19(18)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)