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

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-2-(o-tolylthio)acetamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C19H20ClN3O2S/c1-13-4-2-3-5-17(13)26-12-19(25)22-14-6-7-16(15(20)10-14)23-9-8-21-18(24)11-23/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)(H,22,25)