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

Systemtic Name: 1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H29FN2O3S MolecularWeight: 480.594163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCCC3=CC=CC=C3)COC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCCC3=CC=CC=C3)COC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C27H29FN2O3S/c1-31-25-16-20-13-15-30(27(34)29-14-12-19-6-4-3-5-7-19)24(23(20)17-26(25)32-2)18-33-22-10-8-21(28)9-11-22/h3-11,16-17,24H,12-15,18H2,1-2H3,(H,29,34)