1-oxidanylidene-N-(2-phenylsulfanylethyl)-2H-isoquinoline-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-(2-phenylsulfanylethyl)-2H-isoquinoline-3-carboxamide Openeye Name: 1-oxo-N-(2-phenylsulfanylethyl)-2H-isoquinoline-3-carboxamide CAS Name: 1-oxo-N-[2-(phenylthio)ethyl]-2H-isoquinoline-3-carboxamide IUPAC Name: 1-oxo-N-(2-phenylsulfanylethyl)-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-[2-(phenylthio)ethyl]-2H-isoquinoline-3-carboxamide Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H16N2O2S/c21-17-15-9-5-4-6-13(15)12-16(20-17)18(22)19-10-11-23-14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,22)(H,20,21)