(2S)-N-(1-adamantylmethyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-propanamide

Systemtic Name: (2S)-N-(1-adamantylmethyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-propanamide Openeye Name: (2S)-N-(1-adamantylmethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-methylsulfanyl-propanamide CAS Name: (2S)-N-(1-adamantylmethyl)-2-(1,3-dioxo-2-isoindolyl)-3-(methylthio)propanamide IUPAC Name: (2S)-N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylsulfanylpropanamide Traditional Name: (2S)-N-(1-adamantylmethyl)-3-(methylthio)-2-phthalimido-propionamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)NCC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CSC[C@H](C(=O)NCC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H28N2O3S/c1-29-12-19(25-21(27)17-4-2-3-5-18(17)22(25)28)20(26)24-13-23-9-14-6-15(10-23)8-16(7-14)11-23/h2-5,14-16,19H,6-13H2,1H3,(H,24,26)/t14?,15?,16?,19-,23?/m1/s1