(1S)-6,7-dimethoxy-N-(3-methylsulfanylpropyl)-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (1S)-6,7-dimethoxy-N-(3-methylsulfanylpropyl)-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1S)-6,7-dimethoxy-N-(3-methylsulfanylpropyl)-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1S)-6,7-dimethoxy-N-[3-(methylthio)propyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1S)-6,7-dimethoxy-N-(3-methylsulfanylpropyl)-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1S)-6,7-dimethoxy-N-[3-(methylthio)propyl]-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H26N2O2S3 MolecularWeight: 422.62764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCCCSC)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=S)NCCCSC)C3=CC=CS3)OC

InChI

InChI=1S/C20H26N2O2S3/c1-23-16-12-14-7-9-22(20(25)21-8-5-10-26-3)19(18-6-4-11-27-18)15(14)13-17(16)24-2/h4,6,11-13,19H,5,7-10H2,1-3H3,(H,21,25)/t19-/m0/s1