2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CSC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CSC3=C(C=C(C=C3)Br)C

InChI

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