10-chloranyl-2-(2-phenylsulfanylethanoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

Systemtic Name: 10-chloranyl-2-(2-phenylsulfanylethanoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one Openeye Name: 10-chloro-2-(2-phenylsulfanylacetyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one CAS Name: 10-chloro-2-[1-oxo-2-(phenylthio)ethyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one IUPAC Name: 10-chloro-2-(2-phenylsulfanylacetyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one Traditional Name: 10-chloro-2-[2-(phenylthio)acetyl]-3,6,7,11b-tetrahydro-1H-pyrazin[2,1-a]isoquinolin-4-one Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN(CC2=O)C(=O)CSC3=CC=CC=C3)C4=C1C=CC(=C4)Cl

Isomeric SMILES

C1CN2C(CN(CC2=O)C(=O)CSC3=CC=CC=C3)C4=C1C=CC(=C4)Cl

InChI

InChI=1S/C20H19ClN2O2S/c21-15-7-6-14-8-9-23-18(17(14)10-15)11-22(12-19(23)24)20(25)13-26-16-4-2-1-3-5-16/h1-7,10,18H,8-9,11-13H2