(1S)-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (1S)-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1S)-1-[(1,3-dioxoisoindolin-2-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1S)-1-[(1,3-dioxo-2-isoindolyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1S)-1-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1S)-N-methyl-1-(phthalimidomethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCC2=CC=CC=C2C1CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CNC(=S)N1CCC2=CC=CC=C2[C@H]1CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H19N3O2S/c1-21-20(26)22-11-10-13-6-2-3-7-14(13)17(22)12-23-18(24)15-8-4-5-9-16(15)19(23)25/h2-9,17H,10-12H2,1H3,(H,21,26)/t17-/m1/s1