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

Systemtic Name: (1S)-6,7-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1S)-6,7-dimethoxy-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1S)-6,7-dimethoxy-N-[[(2R)-2-oxolanyl]methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1S)-6,7-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1S)-6,7-dimethoxy-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC3CCCO3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=S)NC[C@H]3CCCO3)C4=CC=CS4)OC

InChI

InChI=1S/C21H26N2O3S2/c1-24-17-11-14-7-8-23(21(27)22-13-15-5-3-9-26-15)20(19-6-4-10-28-19)16(14)12-18(17)25-2/h4,6,10-12,15,20H,3,5,7-9,13H2,1-2H3,(H,22,27)/t15-,20+/m1/s1