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

Systemtic Name: N-cyclohexyl-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-cyclohexyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-cyclohexyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-cyclohexyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-cyclohexyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H31FN2O3S MolecularWeight: 458.588643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CCCCC3)COC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CCCCC3)COC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H31FN2O3S/c1-29-23-14-17-12-13-28(25(32)27-19-6-4-3-5-7-19)22(21(17)15-24(23)30-2)16-31-20-10-8-18(26)9-11-20/h8-11,14-15,19,22H,3-7,12-13,16H2,1-2H3,(H,27,32)