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

Systemtic Name: (1S)-N-cyclohexyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1S)-N-cyclohexyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1S)-N-cyclohexyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1S)-N-cyclohexyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1S)-N-cyclohexyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2C3=CC(=C(C=C3CCN2C(=S)NC4CCCCC4)OC)OC

Isomeric SMILES

COC1=CC=CC=C1OC[C@@H]2C3=CC(=C(C=C3CCN2C(=S)NC4CCCCC4)OC)OC

InChI

InChI=1S/C26H34N2O4S/c1-29-22-11-7-8-12-23(22)32-17-21-20-16-25(31-3)24(30-2)15-18(20)13-14-28(21)26(33)27-19-9-5-4-6-10-19/h7-8,11-12,15-16,19,21H,4-6,9-10,13-14,17H2,1-3H3,(H,27,33)/t21-/m1/s1