2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]ethanamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]acetamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]acetamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]acetamide Formula: C22H28ClN3OS MolecularWeight: 417.99522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H28ClN3OS/c1-3-25-10-12-26(13-11-25)20-8-9-21(17(2)14-20)24-22(27)16-28-15-18-4-6-19(23)7-5-18/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,24,27)