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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H26ClFN2O3S MolecularWeight: 501.012643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C26H26ClFN2O3S/c1-16-21(27)5-4-6-22(16)29-26(34)30-12-11-17-13-24(31-2)25(32-3)14-20(17)23(30)15-33-19-9-7-18(28)8-10-19/h4-10,13-14,23H,11-12,15H2,1-3H3,(H,29,34)