2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[3-[(methylthio)methyl]benzoyl]piperazino]-N-phenyl-acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-27-16-17-6-5-7-18(14-17)21(26)24-12-10-23(11-13-24)15-20(25)22-19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3,(H,22,25)