cinnolin-4-yl-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone

Systemtic Name: cinnolin-4-yl-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone Openeye Name: cinnolin-4-yl-[4-[4-[(4-isopropylsulfanylphenyl)methyl]-1-piperidyl]-1-piperidyl]methanone CAS Name: 4-cinnolinyl-[4-[4-[[4-(propan-2-ylthio)phenyl]methyl]-1-piperidinyl]-1-piperidinyl]methanone IUPAC Name: cinnolin-4-yl-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone Traditional Name: cinnolin-4-yl-[4-[4-[4-(isopropylthio)benzyl]piperidino]piperidino]methanone Formula: C29H36N4OS MolecularWeight: 488.68734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC2CCN(CC2)C3CCN(CC3)C(=O)C4=CN=NC5=CC=CC=C54

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC2CCN(CC2)C3CCN(CC3)C(=O)C4=CN=NC5=CC=CC=C54

InChI

InChI=1S/C29H36N4OS/c1-21(2)35-25-9-7-22(8-10-25)19-23-11-15-32(16-12-23)24-13-17-33(18-14-24)29(34)27-20-30-31-28-6-4-3-5-26(27)28/h3-10,20-21,23-24H,11-19H2,1-2H3