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

Systemtic Name: N-(furan-2-ylmethyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-furylmethyl)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-furanylmethyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(furan-2-ylmethyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-furfuryl)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC3=CC=CO3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC3=CC=CO3)C4=CC=CS4)OC

InChI

InChI=1S/C21H22N2O3S2/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/h3-6,9-12,20H,7-8,13H2,1-2H3,(H,22,27)