(2S)-2-(1H-perimidin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-(1H-perimidin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(1H-perimidin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-(1H-perimidin-2-ylthio)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(1H-perimidin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-N-mesityl-2-(1H-perimidin-2-ylthio)propionamide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=CC=CC4=C3C(=CC=C4)N2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)SC2=NC3=CC=CC4=C3C(=CC=C4)N2)C

InChI

InChI=1S/C23H23N3OS/c1-13-11-14(2)21(15(3)12-13)26-22(27)16(4)28-23-24-18-9-5-7-17-8-6-10-19(25-23)20(17)18/h5-12,16H,1-4H3,(H,24,25)(H,26,27)/t16-/m0/s1