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

Systemtic Name: N-(2,3-dimethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,3-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=C(C(=CC=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)OC)OC)OC)C

Isomeric SMILES

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

InChI

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