(2S)-N-(4-methylphenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Openeye Name: (2S)-2-(1H-perimidin-2-ylsulfanyl)-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-(1H-perimidin-2-ylthio)propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Traditional Name: (2S)-2-(1H-perimidin-2-ylthio)-N-(p-tolyl)propionamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3OS/c1-13-9-11-16(12-10-13)22-20(25)14(2)26-21-23-17-7-3-5-15-6-4-8-18(24-21)19(15)17/h3-12,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m0/s1