4-[(2S)-2-(1-adamantylsulfanyl)propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S)-2-(1-adamantylsulfanyl)propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-(1-adamantylsulfanyl)propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-(1-adamantylthio)-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-(1-adamantylsulfanyl)propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-(1-adamantylthio)propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N2O2S/c1-13(26-21-9-14-6-15(10-21)8-16(7-14)11-21)20(25)23-12-19(24)22-17-4-2-3-5-18(17)23/h2-5,13-16H,6-12H2,1H3,(H,22,24)/t13-,14?,15?,16?,21?/m0/s1