N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(m-tolylmethylsulfanyl)acetamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-2-[(3-methylphenyl)methylthio]acetamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-[2-methyl-4-(4-methylpiperazino)phenyl]acetamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=C(C=C(C=C2)N3CCN(CC3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=C(C=C(C=C2)N3CCN(CC3)C)C

InChI

InChI=1S/C22H29N3OS/c1-17-5-4-6-19(13-17)15-27-16-22(26)23-21-8-7-20(14-18(21)2)25-11-9-24(3)10-12-25/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,23,26)