7-bromanyl-6-ethylsulfanyl-3-[3-(3-methoxypiperidin-2-yl)-2-oxidanylidene-propyl]-3H-quinolin-4-one dihydrobromide

Systemtic Name: 7-bromanyl-6-ethylsulfanyl-3-[3-(3-methoxypiperidin-2-yl)-2-oxidanylidene-propyl]-3H-quinolin-4-one dihydrobromide Openeye Name: 7-bromo-6-ethylsulfanyl-3-[3-(3-methoxy-2-piperidyl)-2-oxo-propyl]-3H-quinolin-4-one dihydrobromide CAS Name: 7-bromo-6-(ethylthio)-3-[3-(3-methoxy-2-piperidinyl)-2-oxopropyl]-3H-quinolin-4-one dihydrobromide IUPAC Name: 7-bromo-6-ethylsulfanyl-3-[3-(3-methoxypiperidin-2-yl)-2-oxopropyl]-3H-quinolin-4-one dihydrobromide Traditional Name: 7-bromo-6-(ethylthio)-3-[2-keto-3-(3-methoxy-2-piperidyl)propyl]-3H-quinolin-4-one dihydrobromide Formula: C20H27Br3N2O3S MolecularWeight: 615.21698

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C2C(=C1)C(=O)C(C=N2)CC(=O)CC3C(CCCN3)OC)Br.Br.Br

Isomeric SMILES

CCSC1=C(C=C2C(=C1)C(=O)C(C=N2)CC(=O)CC3C(CCCN3)OC)Br.Br.Br

InChI

InChI=1S/C20H25BrN2O3S.2BrH/c1-3-27-19-9-14-16(10-15(19)21)23-11-12(20(14)25)7-13(24)8-17-18(26-2)5-4-6-22-17;;/h9-12,17-18,22H,3-8H2,1-2H3;2*1H