4-(aminomethyl)-1-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

Systemtic Name: 4-(aminomethyl)-1-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 4-(aminomethyl)-1-benzylsulfanyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 4-(aminomethyl)-1-(phenylmethylthio)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 4-(aminomethyl)-1-benzylsulfanyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 4-(aminomethyl)-1-(benzylthio)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C17H20N2OS MolecularWeight: 300.4185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC(=O)C(=C2C1)CN)SCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(NC(=O)C(=C2C1)CN)SCC3=CC=CC=C3

InChI

InChI=1S/C17H20N2OS/c18-10-15-13-8-4-5-9-14(13)17(19-16(15)20)21-11-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,18H2,(H,19,20)