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

Systemtic Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C29H34N2O3S/c1-4-21-10-12-24(13-11-21)34-20-26-25-19-28(33-3)27(32-2)18-23(25)15-17-31(26)29(35)30-16-14-22-8-6-5-7-9-22/h5-13,18-19,26H,4,14-17,20H2,1-3H3,(H,30,35)