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

Systemtic Name: N-(3,4-dichlorophenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H30Cl2N2O3S MolecularWeight: 545.5204

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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(=C(C=C4)Cl)Cl)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H30Cl2N2O3S/c1-17(2)18-5-8-21(9-6-18)35-16-25-22-15-27(34-4)26(33-3)13-19(22)11-12-32(25)28(36)31-20-7-10-23(29)24(30)14-20/h5-10,13-15,17,25H,11-12,16H2,1-4H3,(H,31,36)