N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-[2-[(4-methylpyrimidin-2-yl)thio]acetyl]-4-piperidyl]nicotinamide Formula: C29H32N6O2S MolecularWeight: 528.66838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCC2=CNC3=CC=CC=C32)C4CCN(CC4)C(=O)CSC5=NC=CC(=N5)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCC2=CNC3=CC=CC=C32)C4CCN(CC4)C(=O)CSC5=NC=CC(=N5)C

InChI

InChI=1S/C29H32N6O2S/c1-19-7-8-24(28(37)30-14-10-22-17-32-25-6-4-3-5-23(22)25)27(33-19)21-11-15-35(16-12-21)26(36)18-38-29-31-13-9-20(2)34-29/h3-9,13,17,21,32H,10-12,14-16,18H2,1-2H3,(H,30,37)