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

Systemtic Name: N-(2,6-diethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,6-diethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,6-diethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)OC)OC)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)OC)OC)OC

InChI

InChI=1S/C30H36N2O4S/c1-6-20-9-8-10-21(7-2)29(20)31-30(37)32-16-15-22-17-27(34-4)28(35-5)18-25(22)26(32)19-36-24-13-11-23(33-3)12-14-24/h8-14,17-18,26H,6-7,15-16,19H2,1-5H3,(H,31,37)