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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C30H36N2O3S MolecularWeight: 504.68344

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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=C4CC)C)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=C(C=CC=C4CC)C)OC)OC

InChI

InChI=1S/C30H36N2O3S/c1-6-21-11-13-24(14-12-21)35-19-26-25-18-28(34-5)27(33-4)17-23(25)15-16-32(26)30(36)31-29-20(3)9-8-10-22(29)7-2/h8-14,17-18,26H,6-7,15-16,19H2,1-5H3,(H,31,36)