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

Systemtic Name: N-(3,4-dichlorophenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H28Cl2N2O3S MolecularWeight: 531.49382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28Cl2N2O3S/c1-4-17-5-8-20(9-6-17)34-16-24-21-15-26(33-3)25(32-2)13-18(21)11-12-31(24)27(35)30-19-7-10-22(28)23(29)14-19/h5-10,13-15,24H,4,11-12,16H2,1-3H3,(H,30,35)