N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H18N2O2S/c23-18(20-8-7-13-3-1-2-4-14(13)12-20)19-15-5-6-16-17(11-15)22-10-9-21-16/h1-6,11H,7-10,12H2,(H,19,23)