[4-[4-[1-(4-propan-2-ylsulfanylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]-quinolin-5-yl-methanone

Systemtic Name: [4-[4-[1-(4-propan-2-ylsulfanylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]-quinolin-5-yl-methanone Openeye Name: [4-[4-[1-(4-isopropylsulfanylphenyl)ethylidene]-1-piperidyl]-1-piperidyl]-(5-quinolyl)methanone CAS Name: [4-[4-[1-[4-(propan-2-ylthio)phenyl]ethylidene]-1-piperidinyl]-1-piperidinyl]-(5-quinolinyl)methanone IUPAC Name: [4-[4-[1-(4-propan-2-ylsulfanylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]-quinolin-5-ylmethanone Traditional Name: [4-[4-[1-[4-(isopropylthio)phenyl]ethylidene]piperidino]piperidino]-(5-quinolyl)methanone Formula: C31H37N3OS MolecularWeight: 499.70998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(=C2CCN(CC2)C3CCN(CC3)C(=O)C4=C5C=CC=NC5=CC=C4)C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(=C2CCN(CC2)C3CCN(CC3)C(=O)C4=C5C=CC=NC5=CC=C4)C

InChI

InChI=1S/C31H37N3OS/c1-22(2)36-27-11-9-24(10-12-27)23(3)25-13-18-33(19-14-25)26-15-20-34(21-16-26)31(35)29-6-4-8-30-28(29)7-5-17-32-30/h4-12,17,22,26H,13-16,18-21H2,1-3H3