N-[2-(3-methoxyphenyl)ethyl]-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)ethyl]-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)ethyl]-2-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(3-methoxyphenyl)ethyl]-2-[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(3-methoxyphenyl)ethyl]-2-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)ethyl]-2-[2-[(4-methylpyrimidin-2-yl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H28N4O3S MolecularWeight: 476.59052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H28N4O3S/c1-18-10-12-28-26(29-18)34-17-24(31)30-16-21-8-4-3-7-20(21)15-23(30)25(32)27-13-11-19-6-5-9-22(14-19)33-2/h3-10,12,14,23H,11,13,15-17H2,1-2H3,(H,27,32)