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

Systemtic Name: 6,7-dimethoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(2-thienylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-(2-thenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NCC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NCC3=CC=CS3)OC

InChI

InChI=1S/C17H20N2O2S2/c1-20-15-8-12-5-6-19(11-13(12)9-16(15)21-2)17(22)18-10-14-4-3-7-23-14/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,18,22)