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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[4-(4-ethyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[4-(4-ethylpiperazino)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=C(C=C(C=C3)Br)C

Isomeric SMILES

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

InChI

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