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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC(=CC=C4)OC)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC(=CC=C4)OC)OC)OC

InChI

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