6-bromanyl-3-(3-ethoxypropyl)-2-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(3-ethoxypropyl)-2-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 6-bromo-3-(3-ethoxypropyl)-2-[(1R)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-bromo-3-(3-ethoxypropyl)-2-[[(2R)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 6-bromo-3-(3-ethoxypropyl)-2-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 6-bromo-3-(3-ethoxypropyl)-2-[[(1R)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C22H30BrN3O3S MolecularWeight: 496.4609

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1S[C@H](C)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C22H30BrN3O3S/c1-4-29-13-5-10-26-21(28)18-14-17(23)6-7-19(18)24-22(26)30-16(3)20(27)25-11-8-15(2)9-12-25/h6-7,14-16H,4-5,8-13H2,1-3H3/t16-/m1/s1