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

Systemtic Name: 6,7-dimethoxy-N-phenethyl-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-phenethyl-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-phenethyl-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O3S/c1-21(2)23-10-12-25(13-11-23)35-20-27-26-19-29(34-4)28(33-3)18-24(26)15-17-32(27)30(36)31-16-14-22-8-6-5-7-9-22/h5-13,18-19,21,27H,14-17,20H2,1-4H3,(H,31,36)