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

Systemtic Name: N-(2,6-diethylphenyl)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,6-diethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,6-diethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C29H33FN2O3S MolecularWeight: 508.647323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C29H33FN2O3S/c1-5-19-8-7-9-20(6-2)28(19)31-29(36)32-15-14-21-16-26(33-3)27(34-4)17-24(21)25(32)18-35-23-12-10-22(30)11-13-23/h7-13,16-17,25H,5-6,14-15,18H2,1-4H3,(H,31,36)