(2S)-2-(1-adamantylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: (2S)-2-(1-adamantylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2S)-2-(1-adamantylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2S)-2-(1-adamantylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C22H29NOS MolecularWeight: 355.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NOS/c1-15(21(24)23-7-6-19-4-2-3-5-20(19)14-23)25-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-5,15-18H,6-14H2,1H3/t15-,16?,17?,18?,22?/m0/s1