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

Systemtic Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3S/c1-4-19-10-12-22(13-11-19)32-18-24-23-17-26(31-3)25(30-2)16-20(23)14-15-29(24)27(33)28-21-8-6-5-7-9-21/h5-13,16-17,24H,4,14-15,18H2,1-3H3,(H,28,33)