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

Systemtic Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-N-p-phenetyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C30H36N2O4S MolecularWeight: 520.68284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(C)C)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(C)C)OC)OC

InChI

InChI=1S/C30H36N2O4S/c1-6-35-24-13-9-23(10-14-24)31-30(37)32-16-15-22-17-28(33-4)29(34-5)18-26(22)27(32)19-36-25-11-7-21(8-12-25)20(2)3/h7-14,17-18,20,27H,6,15-16,19H2,1-5H3,(H,31,37)