N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-4-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-4-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-piperidyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-4-piperidinyl]-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-4-yl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-piperidyl]-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C24H31N5O4S MolecularWeight: 485.59904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2(CCNCC2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2(CCNCC2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C24H31N5O4S/c1-16-4-8-26-23(27-16)34-15-21(30)28-24(6-9-25-10-7-24)22(31)29-11-5-17-12-19(32-2)20(33-3)13-18(17)14-29/h4,8,12-13,25H,5-7,9-11,14-15H2,1-3H3,(H,28,30)