2-(2-methylphenyl)sulfanyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]ethanamide Openeye Name: 2-(o-tolylsulfanyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]acetamide CAS Name: 2-[(2-methylphenyl)thio]-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methylphenyl)sulfanyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]acetamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-2-(o-tolylthio)acetamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C20H23N3O2S/c1-15-4-2-3-5-18(15)26-14-20(25)22-12-16-6-8-17(9-7-16)23-11-10-21-19(24)13-23/h2-9H,10-14H2,1H3,(H,21,24)(H,22,25)