3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethyl-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethyl-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethyl-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethyl-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethyl-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethyl-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H24N2O2S MolecularWeight: 440.55666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C27H24N2O2S/c30-26-24(28-17-16-21-11-7-8-12-22(21)19-28)25(32-23-13-5-2-6-14-23)27(31)29(26)18-15-20-9-3-1-4-10-20/h1-14H,15-19H2