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

Systemtic Name: 6,7-dimethoxy-N-phenyl-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-phenyl-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-phenyl-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O3S/c1-19(2)20-10-12-23(13-11-20)33-18-25-24-17-27(32-4)26(31-3)16-21(24)14-15-30(25)28(34)29-22-8-6-5-7-9-22/h5-13,16-17,19,25H,14-15,18H2,1-4H3,(H,29,34)