2-(4-bromophenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]acetamide Formula: C21H26BrN3OS MolecularWeight: 448.41964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Br)C

InChI

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