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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H31ClN2O3S MolecularWeight: 511.07534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31ClN2O3S/c1-5-19-9-11-21(12-10-19)34-17-25-22-16-27(33-4)26(32-3)15-20(22)13-14-31(25)28(35)30-24-8-6-7-23(29)18(24)2/h6-12,15-16,25H,5,13-14,17H2,1-4H3,(H,30,35)