(2S)-2-(1-adamantylsulfanyl)-N-(4-methylphenyl)propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-(p-tolyl)propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-(p-tolyl)propionamide Formula: C20H27NOS MolecularWeight: 329.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27NOS/c1-13-3-5-18(6-4-13)21-19(22)14(2)23-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,14-17H,7-12H2,1-2H3,(H,21,22)/t14-,15?,16?,17?,20?/m0/s1