(2S)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(p-tolylsulfanyl)propanamide CAS Name: (2S)-N-[2-(4-ethyl-1-piperazinyl)phenyl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: (2S)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-N-[2-(4-ethylpiperazino)phenyl]-2-(p-tolylthio)propionamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C(C)SC3=CC=C(C=C3)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)[C@H](C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C22H29N3OS/c1-4-24-13-15-25(16-14-24)21-8-6-5-7-20(21)23-22(26)18(3)27-19-11-9-17(2)10-12-19/h5-12,18H,4,13-16H2,1-3H3,(H,23,26)/t18-/m0/s1