(2S)-2-acetamido-N-(1-adamantyl)-3-(3-bromophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(3-bromophenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(3-bromophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(3-bromophenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(3-bromophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(3-bromophenyl)thio]propionamide Formula: C21H27BrN2O2S MolecularWeight: 451.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27BrN2O2S/c1-13(25)23-19(12-27-18-4-2-3-17(22)8-18)20(26)24-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16,19H,5-7,9-12H2,1H3,(H,23,25)(H,24,26)/t14?,15?,16?,19-,21?/m1/s1