1-[8-azanyl-7-(phenylmethylsulfanyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 1-[8-azanyl-7-(phenylmethylsulfanyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 1-(8-amino-7-benzylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-[8-amino-7-(phenylmethylthio)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 1-(8-amino-7-benzylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 1-[8-amino-7-(benzylthio)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C(=C(C=C2)SCC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C(=C(C=C2)SCC3=CC=CC=C3)N

InChI

InChI=1S/C18H20N2OS/c1-13(21)20-10-9-15-7-8-17(18(19)16(15)11-20)22-12-14-5-3-2-4-6-14/h2-8H,9-12,19H2,1H3