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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-ethyl-6-methylphenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C31H38N2O3S MolecularWeight: 518.71002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(C)C)OC)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(C)C)OC)OC)C

InChI

InChI=1S/C31H38N2O3S/c1-7-22-10-8-9-21(4)30(22)32-31(37)33-16-15-24-17-28(34-5)29(35-6)18-26(24)27(33)19-36-25-13-11-23(12-14-25)20(2)3/h8-14,17-18,20,27H,7,15-16,19H2,1-6H3,(H,32,37)