N-(2,5-dimethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)OC)OC)OC

InChI

InChI=1S/C28H32N2O4S/c1-18-6-7-19(2)24(14-18)29-28(35)30-13-12-20-15-26(32-4)27(33-5)16-23(20)25(30)17-34-22-10-8-21(31-3)9-11-22/h6-11,14-16,25H,12-13,17H2,1-5H3,(H,29,35)