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

Systemtic Name: N-(3-chlorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-chlorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-chlorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-chlorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-chlorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC(=CC=C4)Cl)OC)OC

Isomeric SMILES

COC1=CC=CC=C1OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC(=CC=C4)Cl)OC)OC

InChI

InChI=1S/C26H27ClN2O4S/c1-30-22-9-4-5-10-23(22)33-16-21-20-15-25(32-3)24(31-2)13-17(20)11-12-29(21)26(34)28-19-8-6-7-18(27)14-19/h4-10,13-15,21H,11-12,16H2,1-3H3,(H,28,34)