6,7-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-[[(2S)-2-oxolanyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NCC3CCCO3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NC[C@@H]3CCCO3)OC

InChI

InChI=1S/C17H24N2O3S/c1-20-15-8-12-5-6-19(11-13(12)9-16(15)21-2)17(23)18-10-14-4-3-7-22-14/h8-9,14H,3-7,10-11H2,1-2H3,(H,18,23)/t14-/m0/s1