1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

COCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C22H27FN2O4S/c1-26-11-9-24-22(30)25-10-8-15-12-20(27-2)21(28-3)13-18(15)19(25)14-29-17-6-4-16(23)5-7-17/h4-7,12-13,19H,8-11,14H2,1-3H3,(H,24,30)