2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-ethanone

Systemtic Name: 2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-ethanone Openeye Name: 2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-ethanone CAS Name: 2-[(4-aminophenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylethanone IUPAC Name: 2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylethanone Traditional Name: 2-[(4-aminophenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-ethanone Formula: C23H22N2OS MolecularWeight: 374.49858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)N

InChI

InChI=1S/C23H22N2OS/c24-20-10-12-21(13-11-20)27-22(18-7-2-1-3-8-18)23(26)25-15-14-17-6-4-5-9-19(17)16-25/h1-13,22H,14-16,24H2