2-[[2-cyclopropylcarbonyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-butan-1-one

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-butan-1-one Openeye Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-butan-1-one CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-1-butanone IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-ylbutan-1-one Traditional Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-butan-1-one Formula: C27H31FN2O3S MolecularWeight: 482.610043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCSCC1)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C5CC5)C=C2

Isomeric SMILES

CCC(C(=O)N1CCSCC1)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C5CC5)C=C2

InChI

InChI=1S/C27H31FN2O3S/c1-2-24(27(32)29-13-15-34-16-14-29)33-22-10-7-18-11-12-30(26(31)20-3-4-20)25(23(18)17-22)19-5-8-21(28)9-6-19/h5-10,17,20,24-25H,2-4,11-16H2,1H3