2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-[(4-aminophenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[(4-aminophenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=C(C=C3)N

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=C(C=C3)N

InChI

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