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

Systemtic Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-(4-isobutyrylpiperazino)-N-[2-(methylthio)phenyl]propionamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C18H27N3O2S/c1-14(2)18(23)21-12-10-20(11-13-21)9-8-17(22)19-15-6-4-5-7-16(15)24-3/h4-7,14H,8-13H2,1-3H3,(H,19,22)