(7-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-yl-cyclopentyl]methanone

Systemtic Name: (7-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-yl-cyclopentyl]methanone Openeye Name: [(1S,3R)-1-isopropyl-3-(tetrahydropyran-4-ylamino)cyclopentyl]-(7-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [7-(methylthio)-3,4-dihydro-1H-isoquinolin-2-yl]-[(1S,3R)-3-(4-oxanylamino)-1-propan-2-ylcyclopentyl]methanone IUPAC Name: (7-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone Traditional Name: [(1S,3R)-1-isopropyl-3-(tetrahydropyran-4-ylamino)cyclopentyl]-[7-(methylthio)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C24H36N2O2S MolecularWeight: 416.61984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC(C1)NC2CCOCC2)C(=O)N3CCC4=C(C3)C=C(C=C4)SC

Isomeric SMILES

CC(C)[C@@]1(CC[C@H](C1)NC2CCOCC2)C(=O)N3CCC4=C(C3)C=C(C=C4)SC

InChI

InChI=1S/C24H36N2O2S/c1-17(2)24(10-6-21(15-24)25-20-8-12-28-13-9-20)23(27)26-11-7-18-4-5-22(29-3)14-19(18)16-26/h4-5,14,17,20-21,25H,6-13,15-16H2,1-3H3/t21-,24+/m1/s1