4-[2-(methylamino)-3-phenyl-propanoyl]-3-(2-methylsulfanylethyl)piperazin-2-one

Systemtic Name: 4-[2-(methylamino)-3-phenyl-propanoyl]-3-(2-methylsulfanylethyl)piperazin-2-one Openeye Name: 4-[2-(methylamino)-3-phenyl-propanoyl]-3-(2-methylsulfanylethyl)piperazin-2-one CAS Name: 4-[2-(methylamino)-1-oxo-3-phenylpropyl]-3-[2-(methylthio)ethyl]-2-piperazinone IUPAC Name: 4-[2-(methylamino)-3-phenylpropanoyl]-3-(2-methylsulfanylethyl)piperazin-2-one Traditional Name: 4-[2-(methylamino)-3-phenyl-propanoyl]-3-[2-(methylthio)ethyl]piperazin-2-one Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=CC=C1)C(=O)N2CCNC(=O)C2CCSC

Isomeric SMILES

CNC(CC1=CC=CC=C1)C(=O)N2CCNC(=O)C2CCSC

InChI

InChI=1S/C17H25N3O2S/c1-18-14(12-13-6-4-3-5-7-13)17(22)20-10-9-19-16(21)15(20)8-11-23-2/h3-7,14-15,18H,8-12H2,1-2H3,(H,19,21)