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

Systemtic Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-benzyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-benzyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-benzyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2C3=CC(=C(C=C3CCN2C(=S)NCC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC=CC=C1OCC2C3=CC(=C(C=C3CCN2C(=S)NCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H30N2O4S/c1-30-23-11-7-8-12-24(23)33-18-22-21-16-26(32-3)25(31-2)15-20(21)13-14-29(22)27(34)28-17-19-9-5-4-6-10-19/h4-12,15-16,22H,13-14,17-18H2,1-3H3,(H,28,34)