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

Systemtic Name: N-tert-butyl-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-tert-butyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-tert-butyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-tert-butyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-tert-butyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C23H29FN2O3S MolecularWeight: 432.551363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2O3S/c1-23(2,3)25-22(30)26-11-10-15-12-20(27-4)21(28-5)13-18(15)19(26)14-29-17-8-6-16(24)7-9-17/h6-9,12-13,19H,10-11,14H2,1-5H3,(H,25,30)