N-(2-methylsulfanylphenyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]propanamide Openeye Name: 3-(4-benzoylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-(4-benzoyl-1-piperazinyl)-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-(4-benzoylpiperazino)-N-[2-(methylthio)phenyl]propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

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