4-(aminomethyl)-1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

Systemtic Name: 4-(aminomethyl)-1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 4-(aminomethyl)-1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 4-(aminomethyl)-1-[(4-chlorophenyl)methylthio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 4-(aminomethyl)-1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 4-(aminomethyl)-1-[(4-chlorobenzyl)thio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C17H19ClN2OS MolecularWeight: 334.86356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2OS/c18-12-7-5-11(6-8-12)10-22-17-14-4-2-1-3-13(14)15(9-19)16(21)20-17/h5-8H,1-4,9-10,19H2,(H,20,21)