1-[1-phenyl-7-[(5-thiomorpholin-4-ylcarbonylfuran-2-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one

Systemtic Name: 1-[1-phenyl-7-[(5-thiomorpholin-4-ylcarbonylfuran-2-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[1-phenyl-7-[[5-(thiomorpholine-4-carbonyl)-2-furyl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 1-[7-[[5-[oxo(thiomorpholin-4-yl)methyl]-2-furanyl]methoxy]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 1-[1-phenyl-7-[[5-(thiomorpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[1-phenyl-7-[[5-(thiomorpholine-4-carbonyl)-2-furyl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC4=CC=C(O4)C(=O)N5CCSCC5

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC4=CC=C(O4)C(=O)N5CCSCC5

InChI

InChI=1S/C28H30N2O4S/c1-2-26(31)30-13-12-20-8-9-22(18-24(20)27(30)21-6-4-3-5-7-21)33-19-23-10-11-25(34-23)28(32)29-14-16-35-17-15-29/h3-11,18,27H,2,12-17,19H2,1H3